CID 26188810

165036-59-9

Structural Information

Molecular Formula
C14H17NO4
SMILES
COC(=O)[C@@H]1CN(C[C@@H]1C(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c1-19-14(18)12-9-15(8-11(12)13(16)17)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,17)/t11-,12+/m0/s1
InChIKey
YCRKEXYTCFTDDC-NWDGAFQWSA-N
Compound name
(3R,4S)-1-benzyl-4-methoxycarbonylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.11575 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 160.6
[M+Na]+ 286.10497 170.0
[M+NH4]+ 281.14957 166.5
[M+K]+ 302.07891 167.6
[M-H]- 262.10847 161.1
[M+Na-2H]- 284.09042 164.3
[M]+ 263.11520 161.6
[M]- 263.11630 161.6
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