CID 2756094

Fmoc-4-amino-tetrahydropyran-4-carboxylic acid

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1COCCC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO5/c23-19(24)21(9-11-26-12-10-21)22-20(25)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,25)(H,23,24)
InChIKey
FBTUQOKQROVXAO-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
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 184.2
[M+Na]+ 390.131188 188.3
[M-H]- 366.134694 190.9
[M+NH4]+ 385.175793 199.0
[M+K]+ 406.105128 185.7
[M+H-H2O]+ 350.139230 176.6
[M+HCOO]- 412.140171 199.8
[M+CH3COO]- 426.155821 213.6
[M+Na-2H]- 388.116636 187.5
[M]+ 367.14142142 183.2
[M]- 367.14251858 183.2
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

patents stripe