CID 317495

4-methylpyridine-2,3-diamine

Structural Information

Molecular Formula
C6H9N3
SMILES
CC1=C(C(=NC=C1)N)N
InChI
InChI=1S/C6H9N3/c1-4-2-3-9-6(8)5(4)7/h2-3H,7H2,1H3,(H2,8,9)
InChIKey
RWGGFJXJRPCCGD-UHFFFAOYSA-N
Compound name
4-methylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

391
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 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

literature stripe

Patent stripe

patents stripe