CID 64368304

8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine

Structural Information

Molecular Formula
C9H9ClN4
SMILES
C1CC1CC2=NN=C3N2C=CN=C3Cl
InChI
InChI=1S/C9H9ClN4/c10-8-9-13-12-7(5-6-1-2-6)14(9)4-3-11-8/h3-4,6H,1-2,5H2
InChIKey
KGAHOGAQEAMFQG-UHFFFAOYSA-N
Compound name
8-chloro-3-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05157 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.058846 152.5
[M+Na]+ 231.040788 166.3
[M-H]- 207.044294 155.4
[M+NH4]+ 226.085393 164.9
[M+K]+ 247.014728 159.5
[M+H-H2O]+ 191.048830 143.2
[M+HCOO]- 253.049771 169.2
[M+CH3COO]- 267.065421 164.6
[M+Na-2H]- 229.026236 158.6
[M]+ 208.05102142 157.9
[M]- 208.05211858 157.9
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.