CID 123254

7541-16-4

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: 1532
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]+	104.070606	118.4
[M+Na]+	126.052548	126.0
[M-H]-	102.056054	120.8
[M+NH4]+	121.097153	142.2
[M+K]+	142.026488	128.6
[M+H-H2O]+	86.060590	113.8
[M+HCOO]-	148.061531	144.2
[M+CH3COO]-	162.077181	172.0
[M+Na-2H]-	124.037996	124.9
[M]+	103.06278142	120.8
[M]-	103.06387858	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe