CID 138006575

2241142-09-4

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1[C@H]([C@@H](CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O)CC(=O)O
InChI
InChI=1S/C21H21NO5/c23-19-11-22(10-13(19)9-20(24)25)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19,23H,9-12H2,(H,24,25)/t13-,19-/m1/s1
InChIKey
BMIMSKYGCKGJBF-BFUOFWGJSA-N
Compound name
2-[(3R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-hydroxypyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.149246 186.3
[M+Na]+ 390.131188 192.0
[M-H]- 366.134694 191.1
[M+NH4]+ 385.175793 201.3
[M+K]+ 406.105128 187.6
[M+H-H2O]+ 350.139230 179.7
[M+HCOO]- 412.140171 201.4
[M+CH3COO]- 426.155821 211.0
[M+Na-2H]- 388.116636 183.8
[M]+ 367.14142142 186.9
[M]- 367.14251858 186.9
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.