CID 13331793

4-methyl-n-(propan-2-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1=CC=C(C=C1)NC(C)C

InChI

InChI=1S/C10H15N/c1-8(2)11-10-6-4-9(3)5-7-10/h4-8,11H,1-3H3

InChIKey

OMQZTBCIXIXKBF-UHFFFAOYSA-N

Compound name

4-methyl-N-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 149.12045 Da
Monoisotopic Mass: 2.9
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]+	150.12773	132.5
[M+Na]+	172.10967	139.4
[M-H]-	148.11317	136.3
[M+NH4]+	167.15427	153.8
[M+K]+	188.08361	137.7
[M+H-H2O]+	132.11771	126.9
[M+HCOO]-	194.11865	156.8
[M+CH3COO]-	208.13430	181.2
[M+Na-2H]-	170.09512	138.6
[M]+	149.11990	131.8
[M]-	149.12100	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe