CID 138454

Ethyl n-allylcarbamate

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CCOC(=O)NCC=C

InChI

InChI=1S/C6H11NO2/c1-3-5-7-6(8)9-4-2/h3H,1,4-5H2,2H3,(H,7,8)

InChIKey

AOHHOQCLVBLOHU-UHFFFAOYSA-N

Compound name

ethyl N-prop-2-enylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 771
Patents: 129.07898 Da
Monoisotopic Mass: 1.0
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]+	130.08626	126.8
[M+Na]+	152.06820	133.7
[M-H]-	128.07170	127.2
[M+NH4]+	147.11280	148.7
[M+K]+	168.04214	133.6
[M+H-H2O]+	112.07624	122.0
[M+HCOO]-	174.07718	151.6
[M+CH3COO]-	188.09283	173.5
[M+Na-2H]-	150.05365	132.9
[M]+	129.07843	128.0
[M]-	129.07953	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe