CID 68533

2-butanol, 2-methyl-, carbamate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCC(C)(C)OC(=O)N

InChI

InChI=1S/C6H13NO2/c1-4-6(2,3)9-5(7)8/h4H2,1-3H3,(H2,7,8)

InChIKey

AUQKXXDHDKEBEY-UHFFFAOYSA-N

Compound name

2-methylbutan-2-yl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4400
Patents: 131.09464 Da
Monoisotopic Mass: 0.9
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	128.1
[M+Na]+	154.083858	135.1
[M-H]-	130.087364	128.3
[M+NH4]+	149.128463	149.9
[M+K]+	170.057798	135.7
[M+H-H2O]+	114.091900	124.0
[M+HCOO]-	176.092841	150.5
[M+CH3COO]-	190.108491	174.7
[M+Na-2H]-	152.069306	133.8
[M]+	131.09409142	128.6
[M]-	131.09518858	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe