CID 115806

77083-25-1

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

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

InChI

InChI=1S/C10H15N/c1-8-4-3-5-10(6-8)7-9(2)11/h3-6,9H,7,11H2,1-2H3

InChIKey

KCTJOEASAHXBBW-UHFFFAOYSA-N

Compound name

1-(3-methylphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 153
Patents: 149.12045 Da
Monoisotopic Mass: 2.1
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	133.1
[M+Na]+	172.10967	145.4
[M+NH4]+	167.15427	142.4
[M+K]+	188.08361	138.6
[M-H]-	148.11317	136.4
[M+Na-2H]-	170.09512	140.3
[M]+	149.11990	135.7
[M]-	149.12100	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe