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]+ 219.11281 150.0
[M+Na]+ 241.09475 160.0
[M+NH4]+ 236.13935 157.3
[M+K]+ 257.06869 156.0
[M-H]- 217.09825 152.5
[M+Na-2H]- 239.08020 155.9
[M]+ 218.10498 151.7
[M]- 218.10608 151.7
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.