CID 3021821

2-(phenylimino)-1-pyrrolidineacetic acid monohydrochloride

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1CC(=NC2=CC=CC=C2)N(C1)CC(=O)O
InChI
InChI=1S/C12H14N2O2/c15-12(16)9-14-8-4-7-11(14)13-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,16)
InChIKey
JVLRJBQHAYNELF-UHFFFAOYSA-N
Compound name
2-(2-phenyliminopyrrolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

218.10553 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 148.2
[M+Na]+ 241.094748 153.8
[M-H]- 217.098254 153.2
[M+NH4]+ 236.139353 166.3
[M+K]+ 257.068688 151.2
[M+H-H2O]+ 201.102790 140.4
[M+HCOO]- 263.103731 170.7
[M+CH3COO]- 277.119381 187.8
[M+Na-2H]- 239.080196 151.4
[M]+ 218.10498142 145.4
[M]- 218.10607858 145.4
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

No patent data available for this compound.