CID 96524

Methyl butylcarbamate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCCCNC(=O)OC

InChI

InChI=1S/C6H13NO2/c1-3-4-5-7-6(8)9-2/h3-5H2,1-2H3,(H,7,8)

InChIKey

NYVDNVCZHTXXMW-UHFFFAOYSA-N

Compound name

methyl N-butylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 258
Patents: 131.09464 Da
Monoisotopic Mass: 1.2
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]+	132.10192	128.1
[M+Na]+	154.08386	137.2
[M+NH4]+	149.12846	135.4
[M+K]+	170.05780	132.3
[M-H]-	130.08736	127.5
[M+Na-2H]-	152.06931	131.5
[M]+	131.09409	128.8
[M]-	131.09519	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe