CID 115904532

1595712-12-1

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

CN(C)CCCN(C)C(=O)OC

InChI

InChI=1S/C8H18N2O2/c1-9(2)6-5-7-10(3)8(11)12-4/h5-7H2,1-4H3

InChIKey

QRUYCLFAYXRXME-UHFFFAOYSA-N

Compound name

methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 174.13683 Da
Monoisotopic Mass: 0.5
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]+	175.14411	141.6
[M+Na]+	197.12605	146.9
[M-H]-	173.12955	144.6
[M+NH4]+	192.17065	162.8
[M+K]+	213.09999	149.7
[M+H-H2O]+	157.13409	135.5
[M+HCOO]-	219.13503	167.5
[M+CH3COO]-	233.15068	192.6
[M+Na-2H]-	195.11150	145.3
[M]+	174.13628	146.0
[M]-	174.13738	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe