CID 123254

Methyl dimethylcarbamate

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)OC

InChI

InChI=1S/C4H9NO2/c1-5(2)4(6)7-3/h1-3H3

InChIKey

SELYJABLPLKXOY-UHFFFAOYSA-N

Compound name

methyl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1544
Patents: 103.06333 Da
Monoisotopic Mass: 0.1
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]+	104.07061	118.4
[M+Na]+	126.05255	126.0
[M-H]-	102.05605	120.8
[M+NH4]+	121.09715	142.2
[M+K]+	142.02649	128.6
[M+H-H2O]+	86.060590	113.8
[M+HCOO]-	148.06153	144.2
[M+CH3COO]-	162.07718	172.0
[M+Na-2H]-	124.03800	124.9
[M]+	103.06278	120.8
[M]-	103.06388	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe