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

11
Patents

198.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 142.9
[M+Na]+ 221.104908 150.3
[M-H]- 197.108414 149.6
[M+NH4]+ 216.149513 161.5
[M+K]+ 237.078848 146.1
[M+H-H2O]+ 181.112950 135.7
[M+HCOO]- 243.113891 169.2
[M+CH3COO]- 257.129541 190.4
[M+Na-2H]- 219.090356 149.9
[M]+ 198.11514142 140.1
[M]- 198.11623858 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