CID 13025664

30568-40-2

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1=CC(=CC=C1)C(C)(C)N

InChI

InChI=1S/C10H15N/c1-8-5-4-6-9(7-8)10(2,3)11/h4-7H,11H2,1-3H3

InChIKey

PIRQFBKWGQLLMT-UHFFFAOYSA-N

Compound name

2-(3-methylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 149.12045 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]+	150.12773	132.5
[M+Na]+	172.10967	140.2
[M-H]-	148.11317	136.1
[M+NH4]+	167.15427	153.8
[M+K]+	188.08361	138.1
[M+H-H2O]+	132.11771	127.5
[M+HCOO]-	194.11865	155.7
[M+CH3COO]-	208.13430	180.0
[M+Na-2H]-	170.09512	139.5
[M]+	149.11990	131.0
[M]-	149.12100	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe