CID 2331656

1-n-(4-methylphenyl)benzene-1,2-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

62
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

literature stripe

Patent stripe

patents stripe