CID 11651153

Ethenyl-carbamic acid

Structural Information

Molecular Formula

SMILES

C=CNC(=O)O

InChI

InChI=1S/C3H5NO2/c1-2-4-3(5)6/h2,4H,1H2,(H,5,6)

InChIKey

PEOHLVWFSVQRLK-UHFFFAOYSA-N

Compound name

ethenylcarbamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2005
Patents: 87.03203 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	88.039306	113.6
[M+Na]+	110.021248	121.1
[M-H]-	86.024754	113.0
[M+NH4]+	105.065853	136.3
[M+K]+	125.995188	120.9
[M+H-H2O]+	70.029290	109.5
[M+HCOO]-	132.030231	137.7
[M+CH3COO]-	146.045881	162.4
[M+Na-2H]-	108.006696	120.6
[M]+	87.03148142	111.7
[M]-	87.03257858	111.7

Literature stripe

literature stripe

Patent stripe

patents stripe