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

14
Patents

143.02502 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.032296 124.1
[M+Na]+ 166.014238 135.9
[M-H]- 142.017744 124.1
[M+NH4]+ 161.058843 143.0
[M+K]+ 181.988178 132.8
[M+H-H2O]+ 126.022280 117.4
[M+HCOO]- 188.023221 141.2
[M+CH3COO]- 202.038871 173.7
[M+Na-2H]- 163.999686 132.7
[M]+ 143.02447142 126.5
[M]- 143.02556858 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