CID 117273563

4-chloro-2-methylpyrazolo[1,5-a]pyrazine-3-carbaldehyde

Structural Information

Molecular Formula
C8H6ClN3O
SMILES
CC1=NN2C=CN=C(C2=C1C=O)Cl
InChI
InChI=1S/C8H6ClN3O/c1-5-6(4-13)7-8(9)10-2-3-12(7)11-5/h2-4H,1H3
InChIKey
AMFAPMGUTHKRRP-UHFFFAOYSA-N
Compound name
4-chloro-2-methylpyrazolo[1,5-a]pyrazine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.01994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02722 136.3
[M+Na]+ 218.00916 150.3
[M-H]- 194.01266 137.9
[M+NH4]+ 213.05376 156.1
[M+K]+ 233.98310 145.6
[M+H-H2O]+ 178.01720 129.3
[M+HCOO]- 240.01814 154.9
[M+CH3COO]- 254.03379 150.8
[M+Na-2H]- 215.99461 143.6
[M]+ 195.01939 141.9
[M]- 195.02049 141.9
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.