CID 2758550

3-(3,4-dimethylphenyl)aniline

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

CC1=C(C=C(C=C1)C2=CC(=CC=C2)N)C

InChI

InChI=1S/C14H15N/c1-10-6-7-13(8-11(10)2)12-4-3-5-14(15)9-12/h3-9H,15H2,1-2H3

InChIKey

HDZFUSLSIHQFOF-UHFFFAOYSA-N

Compound name

3-(3,4-dimethylphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 197.12045 Da
Monoisotopic Mass: 3.6
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]+	198.12773	144.5
[M+Na]+	220.10967	160.2
[M+NH4]+	215.15427	154.7
[M+K]+	236.08361	151.6
[M-H]-	196.11317	151.0
[M+Na-2H]-	218.09512	155.0
[M]+	197.11990	148.8
[M]-	197.12100	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe