CID 10948

1-methylbutyl carbamate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCCC(C)OC(=O)N

InChI

InChI=1S/C6H13NO2/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3,(H2,7,8)

InChIKey

HZMVPSHLMIQQNX-UHFFFAOYSA-N

Compound name

pentan-2-yl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 190
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	129.2
[M+Na]+	154.08386	135.4
[M-H]-	130.08736	129.1
[M+NH4]+	149.12846	150.7
[M+K]+	170.05780	136.0
[M+H-H2O]+	114.09190	124.3
[M+HCOO]-	176.09284	152.1
[M+CH3COO]-	190.10849	175.3
[M+Na-2H]-	152.06931	132.8
[M]+	131.09409	129.4
[M]-	131.09519	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe