CID 915180

2-chloro-n4-methylpyridine-3,4-diamine

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CNC1=C(C(=NC=C1)Cl)N
InChI
InChI=1S/C6H8ClN3/c1-9-4-2-3-10-6(7)5(4)8/h2-3H,8H2,1H3,(H,9,10)
InChIKey
PLOHMGUEAHHTKK-UHFFFAOYSA-N
Compound name
2-chloro-4-N-methylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

157.04068 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 129.8
[M+Na]+ 180.02990 139.4
[M-H]- 156.03340 132.1
[M+NH4]+ 175.07450 149.9
[M+K]+ 196.00384 135.7
[M+H-H2O]+ 140.03794 124.3
[M+HCOO]- 202.03888 150.8
[M+CH3COO]- 216.05453 180.0
[M+Na-2H]- 178.01535 137.2
[M]+ 157.04013 129.3
[M]- 157.04123 129.3
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