CID 25221

Methylamino zectran

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC1=CC(=CC(=C1NC)C)OC(=O)NC

InChI

InChI=1S/C11H16N2O2/c1-7-5-9(15-11(14)13-4)6-8(2)10(7)12-3/h5-6,12H,1-4H3,(H,13,14)

InChIKey

IDDUHPDQEBAKFA-UHFFFAOYSA-N

Compound name

[3,5-dimethyl-4-(methylamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 208.12119 Da
Monoisotopic Mass: 2.4
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]+	209.128466	146.4
[M+Na]+	231.110408	154.1
[M-H]-	207.113914	150.8
[M+NH4]+	226.155013	165.5
[M+K]+	247.084348	152.7
[M+H-H2O]+	191.118450	140.1
[M+HCOO]-	253.119391	172.0
[M+CH3COO]-	267.135041	193.5
[M+Na-2H]-	229.095856	150.7
[M]+	208.12064142	148.1
[M]-	208.12173858	148.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.