CID 96524

Methyl n-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

2
Annotation Hits: 0
References: 270
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]+	132.101916	128.4
[M+Na]+	154.083858	134.9
[M-H]-	130.087364	128.7
[M+NH4]+	149.128463	150.3
[M+K]+	170.057798	135.5
[M+H-H2O]+	114.091900	123.4
[M+HCOO]-	176.092841	152.9
[M+CH3COO]-	190.108491	174.5
[M+Na-2H]-	152.069306	134.4
[M]+	131.09409142	130.2
[M]-	131.09518858	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe