CID 527635

Tert-butyl methylcarbamate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC(C)(C)OC(=O)NC

InChI

InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)

InChIKey

JHLVEBNWCCKSGY-UHFFFAOYSA-N

Compound name

tert-butyl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6904
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	128.0
[M+Na]+	154.083858	135.2
[M-H]-	130.087364	128.8
[M+NH4]+	149.128463	150.2
[M+K]+	170.057798	136.1
[M+H-H2O]+	114.091900	123.9
[M+HCOO]-	176.092841	151.1
[M+CH3COO]-	190.108491	174.1
[M+Na-2H]-	152.069306	134.8
[M]+	131.09409142	129.3
[M]-	131.09518858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe