CID 3015981

4-methylpyridine-2,6-diamine

Structural Information

Molecular Formula
C6H9N3
SMILES
CC1=CC(=NC(=C1)N)N
InChI
InChI=1S/C6H9N3/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3,(H4,7,8,9)
InChIKey
HUQGLWLBOCSVMD-UHFFFAOYSA-N
Compound name
4-methylpyridine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

528
Patents

123.07965 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.4
[M+Na]+ 146.068868 132.4
[M-H]- 122.072374 125.7
[M+NH4]+ 141.113473 143.9
[M+K]+ 162.042808 130.3
[M+H-H2O]+ 106.076910 117.3
[M+HCOO]- 168.077851 148.5
[M+CH3COO]- 182.093501 175.5
[M+Na-2H]- 144.054316 130.4
[M]+ 123.07910142 120.0
[M]- 123.08019858 120.0
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