CID 138040732

2243515-37-7

Structural Information

Molecular Formula
C8H6N4O
SMILES
CN1C=C(N2C1=C(C=N2)C#N)C=O
InChI
InChI=1S/C8H6N4O/c1-11-4-7(5-13)12-8(11)6(2-9)3-10-12/h3-5H,1H3
InChIKey
OTVDIYADSJRMLY-UHFFFAOYSA-N
Compound name
3-formyl-1-methylimidazo[2,1-e]pyrazole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.05415 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.061426 132.7
[M+Na]+ 197.043368 146.6
[M-H]- 173.046874 133.3
[M+NH4]+ 192.087973 151.5
[M+K]+ 213.017308 142.9
[M+H-H2O]+ 157.051410 118.3
[M+HCOO]- 219.052351 152.7
[M+CH3COO]- 233.068001 145.6
[M+Na-2H]- 195.028816 137.5
[M]+ 174.05360142 131.5
[M]- 174.05469858 131.5
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.