CID 20210789

1379240-45-5

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CNC1=C(C=CN=C1Cl)N
InChI
InChI=1S/C6H8ClN3/c1-9-5-4(8)2-3-10-6(5)7/h2-3,9H,1H3,(H2,8,10)
InChIKey
YVAAUMPNBLBWAU-UHFFFAOYSA-N
Compound name
2-chloro-3-N-methylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 128.3
[M+Na]+ 180.02990 141.3
[M+NH4]+ 175.07450 137.2
[M+K]+ 196.00384 134.8
[M-H]- 156.03340 131.3
[M+Na-2H]- 178.01535 135.9
[M]+ 157.04013 131.1
[M]- 157.04123 131.1
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