CID 12162002

(4-propylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCCC1=CC=C(C=C1)CN

InChI

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

InChIKey

XOADGIXTUMJDDN-UHFFFAOYSA-N

Compound name

(4-propylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
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	132.6
[M+Na]+	172.10967	145.2
[M+NH4]+	167.15427	142.1
[M+K]+	188.08361	137.7
[M-H]-	148.11317	136.2
[M+Na-2H]-	170.09512	140.2
[M]+	149.11990	135.4
[M]-	149.12100	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe