CID 10020

Hydantoic acid

Structural Information

Molecular Formula
C3H6N2O3
SMILES
C(C(=O)O)NC(=O)N
InChI
InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
InChIKey
KZVRXPPUJQRGFN-UHFFFAOYSA-N
Compound name
2-(carbamoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

20
References

1599
Patents

118.03784 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.04512 120.9
[M+Na]+ 141.02706 127.3
[M-H]- 117.03056 119.8
[M+NH4]+ 136.07166 141.5
[M+K]+ 157.00100 127.6
[M+H-H2O]+ 101.03510 115.9
[M+HCOO]- 163.03604 144.7
[M+CH3COO]- 177.05169 169.9
[M+Na-2H]- 139.01251 125.7
[M]+ 118.03729 117.9
[M]- 118.03839 117.9
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

patents stripe