CID 115612489

Methyl n-methyl-n-[(1-methylpyrrolidin-3-yl)methyl]carbamate

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CN1CCC(C1)CN(C)C(=O)OC

InChI

InChI=1S/C9H18N2O2/c1-10-5-4-8(6-10)7-11(2)9(12)13-3/h8H,4-7H2,1-3H3

InChIKey

JFJCHIFIMCHOCG-UHFFFAOYSA-N

Compound name

methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.13683 Da
Monoisotopic Mass: 0.6
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]+	187.144106	143.5
[M+Na]+	209.126048	149.1
[M-H]-	185.129554	146.7
[M+NH4]+	204.170653	164.2
[M+K]+	225.099988	150.0
[M+H-H2O]+	169.134090	136.8
[M+HCOO]-	231.135031	165.8
[M+CH3COO]-	245.150681	186.9
[M+Na-2H]-	207.111496	145.1
[M]+	186.13628142	144.0
[M]-	186.13737858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.