CID 13252

Aminozectran

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CC1=CC(=CC(=C1N)C)OC(=O)NC

InChI

InChI=1S/C10H14N2O2/c1-6-4-8(14-10(13)12-3)5-7(2)9(6)11/h4-5H,11H2,1-3H3,(H,12,13)

InChIKey

WUCVFDPUWPSAKL-UHFFFAOYSA-N

Compound name

(4-amino-3,5-dimethylphenyl) N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1
Patents: 194.10553 Da
Monoisotopic Mass: 1.7
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]+	195.11281	142.4
[M+Na]+	217.09475	150.6
[M-H]-	193.09825	146.4
[M+NH4]+	212.13935	161.8
[M+K]+	233.06869	149.0
[M+H-H2O]+	177.10279	136.3
[M+HCOO]-	239.10373	167.7
[M+CH3COO]-	253.11938	189.8
[M+Na-2H]-	215.08020	146.1
[M]+	194.10498	142.6
[M]-	194.10608	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe