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]+ 172.06360 133.4
[M+Na]+ 194.04554 144.3
[M-H]- 170.04904 133.0
[M+NH4]+ 189.09014 151.1
[M+K]+ 210.01948 140.6
[M+H-H2O]+ 154.05358 126.2
[M+HCOO]- 216.05452 149.8
[M+CH3COO]- 230.07017 179.7
[M+Na-2H]- 192.03099 140.8
[M]+ 171.05577 136.5
[M]- 171.05687 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.