CID 40425440

N1-(3-methylphenyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C13H14N2
SMILES
CC1=CC(=CC=C1)NC2=CC=CC=C2N
InChI
InChI=1S/C13H14N2/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14/h2-9,15H,14H2,1H3
InChIKey
MKWLGVQXOJRYGU-UHFFFAOYSA-N
Compound name
2-N-(3-methylphenyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

198.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 142.9
[M+Na]+ 221.10491 150.3
[M-H]- 197.10841 149.6
[M+NH4]+ 216.14951 161.5
[M+K]+ 237.07885 146.1
[M+H-H2O]+ 181.11295 135.7
[M+HCOO]- 243.11389 169.2
[M+CH3COO]- 257.12954 190.4
[M+Na-2H]- 219.09036 149.9
[M]+ 198.11514 140.1
[M]- 198.11624 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe