CID 59772286

167275-47-0

Structural Information

Molecular Formula
C21H21NO4
SMILES
C[C@]1(CCCN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO4/c1-21(19(23)24)11-6-12-22(21)20(25)26-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,24)/t21-/m0/s1
InChIKey
VOQFOIAFEGUNRZ-NRFANRHFSA-N
Compound name
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

351.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 184.8
[M+Na]+ 374.13628 191.6
[M-H]- 350.13978 190.9
[M+NH4]+ 369.18088 203.0
[M+K]+ 390.11022 187.1
[M+H-H2O]+ 334.14432 178.0
[M+HCOO]- 396.14526 201.3
[M+CH3COO]- 410.16091 194.9
[M+Na-2H]- 372.12173 184.0
[M]+ 351.14651 185.7
[M]- 351.14761 185.7
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