CID 85045

1-(hydroxymethyl)imidazolidin-2-one

Structural Information

Molecular Formula
C4H8N2O2
SMILES
C1CN(C(=O)N1)CO
InChI
InChI=1S/C4H8N2O2/c7-3-6-2-1-5-4(6)8/h7H,1-3H2,(H,5,8)
InChIKey
XQCHHZHVJHXGCM-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

116.05858 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.065856 122.4
[M+Na]+ 139.047798 130.0
[M-H]- 115.051304 120.5
[M+NH4]+ 134.092403 142.6
[M+K]+ 155.021738 128.5
[M+H-H2O]+ 99.055840 116.4
[M+HCOO]- 161.056781 141.3
[M+CH3COO]- 175.072431 161.5
[M+Na-2H]- 137.033246 127.0
[M]+ 116.05803142 118.0
[M]- 116.05912858 118.0
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