CID 4716476

N-(4-methylbenzyl)ethanamine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CCNCC1=CC=C(C=C1)C

InChI

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

InChIKey

RQMKHMUNQWEHDI-UHFFFAOYSA-N

Compound name

N-[(4-methylphenyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
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	132.0
[M+Na]+	172.10967	139.1
[M-H]-	148.11317	135.7
[M+NH4]+	167.15427	153.4
[M+K]+	188.08361	137.0
[M+H-H2O]+	132.11771	126.3
[M+HCOO]-	194.11865	157.3
[M+CH3COO]-	208.13430	180.3
[M+Na-2H]-	170.09512	139.4
[M]+	149.11990	131.9
[M]-	149.12100	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe