CID 137321843

2-amino-1-ethyl-1,5-dihydro-4h-imidazol-4-one

Structural Information

Molecular Formula
C5H9N3O
SMILES
CCN1CC(=O)NC1=N
InChI
InChI=1S/C5H9N3O/c1-2-8-3-4(9)7-5(8)6/h2-3H2,1H3,(H2,6,7,9)
InChIKey
LCDGAYYHFKVEAR-UHFFFAOYSA-N
Compound name
1-ethyl-2-iminoimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.07456 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 125.7
[M+Na]+ 150.063778 133.8
[M-H]- 126.067284 125.4
[M+NH4]+ 145.108383 146.1
[M+K]+ 166.037718 131.7
[M+H-H2O]+ 110.071820 119.4
[M+HCOO]- 172.072761 146.8
[M+CH3COO]- 186.088411 170.1
[M+Na-2H]- 148.049226 130.0
[M]+ 127.07401142 121.1
[M]- 127.07510858 121.1
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