CID 11029902

4,6-dimethylpyridine-2,3-diamine

Structural Information

Molecular Formula
C7H11N3
SMILES
CC1=CC(=NC(=C1N)N)C
InChI
InChI=1S/C7H11N3/c1-4-3-5(2)10-7(9)6(4)8/h3H,8H2,1-2H3,(H2,9,10)
InChIKey
KOFVAOOMAVAGHM-UHFFFAOYSA-N
Compound name
4,6-dimethylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

137.09529 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 128.2
[M+Na]+ 160.084508 137.8
[M-H]- 136.088014 130.7
[M+NH4]+ 155.129113 148.5
[M+K]+ 176.058448 135.4
[M+H-H2O]+ 120.092550 122.2
[M+HCOO]- 182.093491 153.0
[M+CH3COO]- 196.109141 179.8
[M+Na-2H]- 158.069956 133.9
[M]+ 137.09474142 125.6
[M]- 137.09583858 125.6
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