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 136.9
[M+Na]+ 221.02006 151.3
[M-H]- 197.02356 137.2
[M+NH4]+ 216.06466 155.2
[M+K]+ 236.99400 146.6
[M+H-H2O]+ 181.02810 129.1
[M+HCOO]- 243.02904 154.3
[M+CH3COO]- 257.04469 151.0
[M+Na-2H]- 219.00551 144.5
[M]+ 198.03029 142.6
[M]- 198.03139 142.6
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.