CID 31160

1-methyl-3-phenylpropylamine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC(CCC1=CC=CC=C1)N

InChI

InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3

InChIKey

WECUIGDEWBNQJJ-UHFFFAOYSA-N

Compound name

4-phenylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 2032
Patents: 149.12045 Da
Monoisotopic Mass: 2.0
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	133.5
[M+Na]+	172.10967	145.4
[M+NH4]+	167.15427	142.8
[M+K]+	188.08361	138.4
[M-H]-	148.11317	136.8
[M+Na-2H]-	170.09512	140.9
[M]+	149.11990	136.0
[M]-	149.12100	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe