CID 132351068

Rac-(2r,6s)-4-{[(9h-fluoren-9-yl)methoxy]carbonyl}-6-methylmorpholine-2-carboxylic acid

Structural Information

Molecular Formula
C21H21NO5
SMILES
C[C@@H]1CN(C[C@H](O1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO5/c1-13-10-22(11-19(27-13)20(23)24)21(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-19H,10-12H2,1H3,(H,23,24)/t13-,19+/m1/s1
InChIKey
ZILOAIGNUCTBAM-YJYMSZOUSA-N
Compound name
(2S,6R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylmorpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.149246 185.6
[M+Na]+ 390.131188 191.2
[M-H]- 366.134694 191.5
[M+NH4]+ 385.175793 197.9
[M+K]+ 406.105128 188.3
[M+H-H2O]+ 350.139230 177.4
[M+HCOO]- 412.140171 198.8
[M+CH3COO]- 426.155821 214.1
[M+Na-2H]- 388.116636 185.5
[M]+ 367.14142142 186.2
[M]- 367.14251858 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.