CID 95685

Isopropyl dimethylcarbamate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC(C)OC(=O)N(C)C

InChI

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

InChIKey

XFWJFSJDRURPLE-UHFFFAOYSA-N

Compound name

propan-2-yl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
Patents: 131.09464 Da
Monoisotopic Mass: 1.4
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	134.6
[M-H]-	130.087364	130.1
[M+NH4]+	149.128463	150.6
[M+K]+	170.057798	137.1
[M+H-H2O]+	114.091900	123.2
[M+HCOO]-	176.092841	152.2
[M+CH3COO]-	190.108491	179.0
[M+Na-2H]-	152.069306	132.1
[M]+	131.09409142	130.6
[M]-	131.09518858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe