CID 75481749

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

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CCC1=C(N=NC(=N1)Cl)CC
InChI
InChI=1S/C7H10ClN3/c1-3-5-6(4-2)10-11-7(8)9-5/h3-4H2,1-2H3
InChIKey
BYGIVDGDVOWZHP-UHFFFAOYSA-N
Compound name
3-chloro-5,6-diethyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05632 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.063596 133.4
[M+Na]+ 194.045538 144.3
[M-H]- 170.049044 133.0
[M+NH4]+ 189.090143 151.1
[M+K]+ 210.019478 140.6
[M+H-H2O]+ 154.053580 126.2
[M+HCOO]- 216.054521 149.8
[M+CH3COO]- 230.070171 179.7
[M+Na-2H]- 192.030986 140.8
[M]+ 171.05577142 136.5
[M]- 171.05686858 136.5
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

No patent data available for this compound.