CID 2725754

19555-48-7

Structural Information

Molecular Formula
C11H12N2O4
SMILES
C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C11H12N2O4/c14-11(15)9-7-8(13(16)17)3-4-10(9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKey
RQSZZLSHECUEDX-UHFFFAOYSA-N
Compound name
5-nitro-2-pyrrolidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

236.07971 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 149.5
[M+Na]+ 259.06893 160.3
[M+NH4]+ 254.11353 156.2
[M+K]+ 275.04287 160.3
[M-H]- 235.07243 152.0
[M+Na-2H]- 257.05438 154.2
[M]+ 236.07916 151.3
[M]- 236.08026 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe