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 148.2
[M+Na]+ 241.09475 153.8
[M-H]- 217.09825 153.2
[M+NH4]+ 236.13935 166.3
[M+K]+ 257.06869 151.2
[M+H-H2O]+ 201.10279 140.4
[M+HCOO]- 263.10373 170.7
[M+CH3COO]- 277.11938 187.8
[M+Na-2H]- 239.08020 151.4
[M]+ 218.10498 145.4
[M]- 218.10608 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.