CID 58262287

1594007-94-9

Structural Information

Molecular Formula

C₇H₁₆N₂O₂

SMILES

CN(C)CCN(C)C(=O)OC

InChI

InChI=1S/C7H16N2O2/c1-8(2)5-6-9(3)7(10)11-4/h5-6H2,1-4H3

InChIKey

HOXRPGFTHISLLP-UHFFFAOYSA-N

Compound name

methyl N-[2-(dimethylamino)ethyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 160.12119 Da
Monoisotopic Mass: 0.2
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]+	161.128466	136.9
[M+Na]+	183.110408	142.5
[M-H]-	159.113914	140.1
[M+NH4]+	178.155013	158.6
[M+K]+	199.084348	145.6
[M+H-H2O]+	143.118450	130.9
[M+HCOO]-	205.119391	163.1
[M+CH3COO]-	219.135041	189.6
[M+Na-2H]-	181.095856	141.1
[M]+	160.12064142	140.9
[M]-	160.12173858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe