CID 137964583

2228423-40-1

Structural Information

Molecular Formula
C8H8N4O
SMILES
CN1C=CC(=N1)C2=C(C=NN2)C=O
InChI
InChI=1S/C8H8N4O/c1-12-3-2-7(11-12)8-6(5-13)4-9-10-8/h2-5H,1H3,(H,9,10)
InChIKey
ZCOGFSUFPBMQHY-UHFFFAOYSA-N
Compound name
5-(1-methylpyrazol-3-yl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06981 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 134.3
[M+Na]+ 199.05903 146.0
[M-H]- 175.06253 135.9
[M+NH4]+ 194.10363 152.2
[M+K]+ 215.03297 142.7
[M+H-H2O]+ 159.06707 125.9
[M+HCOO]- 221.06801 157.3
[M+CH3COO]- 235.08366 148.1
[M+Na-2H]- 197.04448 139.0
[M]+ 176.06926 136.0
[M]- 176.07036 136.0
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.