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]+ 175.06143 132.7
[M+Na]+ 197.04337 146.6
[M-H]- 173.04687 133.3
[M+NH4]+ 192.08797 151.5
[M+K]+ 213.01731 142.9
[M+H-H2O]+ 157.05141 118.3
[M+HCOO]- 219.05235 152.7
[M+CH3COO]- 233.06800 145.6
[M+Na-2H]- 195.02882 137.5
[M]+ 174.05360 131.5
[M]- 174.05470 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.