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]+ 159.07642 134.1
[M+Na]+ 181.05836 140.3
[M-H]- 157.06186 130.5
[M+NH4]+ 176.10296 151.6
[M+K]+ 197.03230 137.8
[M+H-H2O]+ 141.06640 127.9
[M+HCOO]- 203.06734 150.2
[M+CH3COO]- 217.08299 167.2
[M+Na-2H]- 179.04381 135.9
[M]+ 158.06859 128.6
[M]- 158.06969 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