CID 178244171

N-(2-methylprop-1-enylidene)carbamate

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC(=C=NC(=O)O)C
InChI
InChI=1S/C5H7NO2/c1-4(2)3-6-5(7)8/h1-2H3,(H,7,8)
InChIKey
GVZJJWFDQGQGFB-UHFFFAOYSA-N
Compound name
2-methylprop-1-enylidenecarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.047676 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 121.1
[M+Na]+ 136.036894 128.6
[M-H]- 112.040400 121.9
[M+NH4]+ 131.081499 143.6
[M+K]+ 152.010834 128.6
[M+H-H2O]+ 96.044936 116.7
[M+HCOO]- 158.045877 145.4
[M+CH3COO]- 172.061527 169.7
[M+Na-2H]- 134.022342 126.5
[M]+ 113.04712742 120.5
[M]- 113.04822458 120.5
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.