CID 66888

3,4-dimethylbenzylamine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

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

InChI

InChI=1S/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3

InChIKey

PXNRCZQMDSDSHJ-UHFFFAOYSA-N

Compound name

(3,4-dimethylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 635
Patents: 135.1048 Da
Monoisotopic Mass: 1.5
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]+	136.11208	127.7
[M+Na]+	158.09402	140.9
[M+NH4]+	153.13862	137.3
[M+K]+	174.06796	133.8
[M-H]-	134.09752	131.4
[M+Na-2H]-	156.07947	135.4
[M]+	135.10425	130.6
[M]-	135.10535	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe