CID 910412

4-n-methylpyridine-3,4-diamine

Structural Information

Molecular Formula
C6H9N3
SMILES
CNC1=C(C=NC=C1)N
InChI
InChI=1S/C6H9N3/c1-8-6-2-3-9-4-5(6)7/h2-4H,7H2,1H3,(H,8,9)
InChIKey
CACZIDDDEFIYTF-UHFFFAOYSA-N
Compound name
4-N-methylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

123.07965 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 122.7
[M+Na]+ 146.068868 130.7
[M-H]- 122.072374 125.0
[M+NH4]+ 141.113473 143.1
[M+K]+ 162.042808 128.9
[M+H-H2O]+ 106.076910 116.2
[M+HCOO]- 168.077851 148.4
[M+CH3COO]- 182.093501 175.0
[M+Na-2H]- 144.054316 131.5
[M]+ 123.07910142 119.9
[M]- 123.08019858 119.9
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