CID 25948

13394-86-0

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

CC1=CC=CC=C1C2=CC(=C(C=C2)N)C

InChI

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

InChIKey

HSQVHYANHDSFFI-UHFFFAOYSA-N

Compound name

2-methyl-4-(2-methylphenyl)aniline

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 105
References: 39
Patents: 197.12045 Da
Monoisotopic Mass: 3.3
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]+	198.127726	143.5
[M+Na]+	220.109668	152.3
[M-H]-	196.113174	150.6
[M+NH4]+	215.154273	162.9
[M+K]+	236.083608	148.0
[M+H-H2O]+	180.117710	136.8
[M+HCOO]-	242.118651	168.4
[M+CH3COO]-	256.134301	189.6
[M+Na-2H]-	218.095116	148.9
[M]+	197.11990142	142.2
[M]-	197.12099858	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe