CID 19088666

2-methylpyridine-3,4-diamine

Structural Information

Molecular Formula
C6H9N3
SMILES
CC1=NC=CC(=C1N)N
InChI
InChI=1S/C6H9N3/c1-4-6(8)5(7)2-3-9-4/h2-3H,8H2,1H3,(H2,7,9)
InChIKey
CXCMHIHWZCWXQU-UHFFFAOYSA-N
Compound name
2-methylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

123.07965 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 122.6
[M+Na]+ 146.06887 134.6
[M+NH4]+ 141.11347 131.2
[M+K]+ 162.04281 129.1
[M-H]- 122.07237 125.5
[M+Na-2H]- 144.05432 129.7
[M]+ 123.07910 124.9
[M]- 123.08020 124.9
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