CID 6394483

2-((aminocarbonyl)imino)-1-pyrrolidineacetic acid monohydrochloride

Structural Information

Molecular Formula
C7H11N3O3
SMILES
C1C/C(=N\C(=O)N)/N(C1)CC(=O)O
InChI
InChI=1S/C7H11N3O3/c8-7(13)9-5-2-1-3-10(5)4-6(11)12/h1-4H2,(H2,8,13)(H,11,12)/b9-5+
InChIKey
BIZCLBYCUPABAD-WEVVVXLNSA-N
Compound name
2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08005 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08733 138.9
[M+Na]+ 208.06927 144.3
[M-H]- 184.07277 140.5
[M+NH4]+ 203.11387 157.8
[M+K]+ 224.04321 143.8
[M+H-H2O]+ 168.07731 132.1
[M+HCOO]- 230.07825 161.2
[M+CH3COO]- 244.09390 183.1
[M+Na-2H]- 206.05472 140.5
[M]+ 185.07950 134.9
[M]- 185.08060 134.9
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

No patent data available for this compound.