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: 4699
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]+	132.10192	128.0
[M+Na]+	154.08386	136.4
[M+NH4]+	149.12846	134.9
[M+K]+	170.05780	133.1
[M-H]-	130.08736	126.5
[M+Na-2H]-	152.06931	130.8
[M]+	131.09409	128.4
[M]-	131.09519	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe