CID 48131

N-demethylcarbachol

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CN(C)CCOC(=O)N

InChI

InChI=1S/C5H12N2O2/c1-7(2)3-4-9-5(6)8/h3-4H2,1-2H3,(H2,6,8)

InChIKey

LPVCCSSTZWTHFO-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 184
Patents: 132.08987 Da
Monoisotopic Mass: -0.4
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]+	133.097146	127.9
[M+Na]+	155.079088	134.0
[M-H]-	131.082594	129.3
[M+NH4]+	150.123693	149.6
[M+K]+	171.053028	135.8
[M+H-H2O]+	115.087130	122.3
[M+HCOO]-	177.088071	153.6
[M+CH3COO]-	191.103721	179.9
[M+Na-2H]-	153.064536	132.7
[M]+	132.08932142	128.8
[M]-	132.09041858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe