CID 2734420

6-methylpyridine-2,3-diamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

123.07965 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 123.4
[M+Na]+ 146.06887 132.4
[M-H]- 122.07237 125.7
[M+NH4]+ 141.11347 143.9
[M+K]+ 162.04281 130.3
[M+H-H2O]+ 106.07691 117.3
[M+HCOO]- 168.07785 148.5
[M+CH3COO]- 182.09350 175.5
[M+Na-2H]- 144.05432 130.4
[M]+ 123.07910 120.0
[M]- 123.08020 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