CID 118989133

3-(2-oxoimidazolidin-4-yl)propanoic acid

Structural Information

Molecular Formula
C6H10N2O3
SMILES
C1C(NC(=O)N1)CCC(=O)O
InChI
InChI=1S/C6H10N2O3/c9-5(10)2-1-4-3-7-6(11)8-4/h4H,1-3H2,(H,9,10)(H2,7,8,11)
InChIKey
WGSARLXMHGAQDT-UHFFFAOYSA-N
Compound name
3-(2-oxoimidazolidin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

158.06914 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.076416 134.1
[M+Na]+ 181.058358 140.3
[M-H]- 157.061864 130.5
[M+NH4]+ 176.102963 151.6
[M+K]+ 197.032298 137.8
[M+H-H2O]+ 141.066400 127.9
[M+HCOO]- 203.067341 150.2
[M+CH3COO]- 217.082991 167.2
[M+Na-2H]- 179.043806 135.9
[M]+ 158.06859142 128.6
[M]- 158.06968858 128.6
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

patents stripe