CID 458433

2,4,6-trimethylbenzylamine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1=CC(=C(C(=C1)C)CN)C

InChI

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

InChIKey

DGSRAILDFBJNQI-UHFFFAOYSA-N

Compound name

(2,4,6-trimethylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 384
Patents: 149.12045 Da
Monoisotopic Mass: 1.9
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	131.7
[M+Na]+	172.10967	140.8
[M-H]-	148.11317	135.7
[M+NH4]+	167.15427	153.5
[M+K]+	188.08361	138.3
[M+H-H2O]+	132.11771	126.6
[M+HCOO]-	194.11865	156.4
[M+CH3COO]-	208.13430	181.9
[M+Na-2H]-	170.09512	136.6
[M]+	149.11990	131.4
[M]-	149.12100	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe