CID 45076266

3-chloro-5,6-dimethyl-1,2,4-triazine

Structural Information

Molecular Formula
C5H6ClN3
SMILES
CC1=C(N=NC(=N1)Cl)C
InChI
InChI=1S/C5H6ClN3/c1-3-4(2)8-9-5(6)7-3/h1-2H3
InChIKey
YNQQOBSXTSETIV-UHFFFAOYSA-N
Compound name
3-chloro-5,6-dimethyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

143.02502 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.03230 124.1
[M+Na]+ 166.01424 135.9
[M-H]- 142.01774 124.1
[M+NH4]+ 161.05884 143.0
[M+K]+ 181.98818 132.8
[M+H-H2O]+ 126.02228 117.4
[M+HCOO]- 188.02322 141.2
[M+CH3COO]- 202.03887 173.7
[M+Na-2H]- 163.99969 132.7
[M]+ 143.02447 126.5
[M]- 143.02557 126.5
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