CID 53428399

Dtxsid70699788

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC(=C)OC(=O)N1C=CN=C1
InChI
InChI=1S/C7H8N2O2/c1-6(2)11-7(10)9-4-3-8-5-9/h3-5H,1H2,2H3
InChIKey
NXPBLWUIFYUYRO-UHFFFAOYSA-N
Compound name
prop-1-en-2-yl imidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 130.4
[M+Na]+ 175.04780 138.7
[M-H]- 151.05130 131.6
[M+NH4]+ 170.09240 150.5
[M+K]+ 191.02174 138.3
[M+H-H2O]+ 135.05584 123.5
[M+HCOO]- 197.05678 152.6
[M+CH3COO]- 211.07243 173.4
[M+Na-2H]- 173.03325 134.8
[M]+ 152.05803 131.3
[M]- 152.05913 131.3
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

No patent data available for this compound.