CID 64368304

1343718-12-6

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]+ 209.05885 152.5
[M+Na]+ 231.04079 166.3
[M-H]- 207.04429 155.4
[M+NH4]+ 226.08539 164.9
[M+K]+ 247.01473 159.5
[M+H-H2O]+ 191.04883 143.2
[M+HCOO]- 253.04977 169.2
[M+CH3COO]- 267.06542 164.6
[M+Na-2H]- 229.02624 158.6
[M]+ 208.05102 157.9
[M]- 208.05212 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.