CID 137838561

2095410-15-2

Structural Information

Molecular Formula
C7H7ClN4O
SMILES
CN1C=CN2C(=NN=C2C1=O)CCl
InChI
InChI=1S/C7H7ClN4O/c1-11-2-3-12-5(4-8)9-10-6(12)7(11)13/h2-3H,4H2,1H3
InChIKey
VZKJQCSRQFRGOH-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03084 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03812 136.6
[M+Na]+ 221.02006 152.4
[M+NH4]+ 216.06466 144.2
[M+K]+ 236.99400 147.4
[M-H]- 197.02356 136.5
[M+Na-2H]- 219.00551 143.2
[M]+ 198.03029 139.0
[M]- 198.03139 139.0
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.