CID 6367674

1-pyrrolidineacetic acid, 2-((aminocarbonyl)imino)-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C9H15N3O3
SMILES
CCOC(=O)CN\1CCC/C1=N\C(=O)N
InChI
InChI=1S/C9H15N3O3/c1-2-15-8(13)6-12-5-3-4-7(12)11-9(10)14/h2-6H2,1H3,(H2,10,14)/b11-7+
InChIKey
LSIRRWBECDGWIJ-YRNVUSSQSA-N
Compound name
ethyl 2-[(2E)-2-carbamoyliminopyrrolidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

213.11134 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.118616 147.7
[M+Na]+ 236.100558 152.8
[M-H]- 212.104064 150.3
[M+NH4]+ 231.145163 166.3
[M+K]+ 252.074498 152.7
[M+H-H2O]+ 196.108600 140.3
[M+HCOO]- 258.109541 170.9
[M+CH3COO]- 272.125191 191.0
[M+Na-2H]- 234.086006 148.7
[M]+ 213.11079142 146.2
[M]- 213.11188858 146.2
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.