CID 29067452

4-n-(4-methylphenyl)pyridine-3,4-diamine

Structural Information

Molecular Formula
C12H13N3
SMILES
CC1=CC=C(C=C1)NC2=C(C=NC=C2)N
InChI
InChI=1S/C12H13N3/c1-9-2-4-10(5-3-9)15-12-6-7-14-8-11(12)13/h2-8H,13H2,1H3,(H,14,15)
InChIKey
NTNIVUMTQZQDMU-UHFFFAOYSA-N
Compound name
4-N-(4-methylphenyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

199.11095 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 143.1
[M+Na]+ 222.10017 150.9
[M-H]- 198.10367 148.5
[M+NH4]+ 217.14477 160.3
[M+K]+ 238.07411 146.7
[M+H-H2O]+ 182.10821 135.1
[M+HCOO]- 244.10915 168.4
[M+CH3COO]- 258.12480 190.0
[M+Na-2H]- 220.08562 150.8
[M]+ 199.11040 140.5
[M]- 199.11150 140.5
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