CID 86641655

1-(1-methyl-1h-imidazol-4-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C8H8N4O
SMILES
CN1C=C(N=C1)N2C=C(C=N2)C=O
InChI
InChI=1S/C8H8N4O/c1-11-4-8(9-6-11)12-3-7(5-13)2-10-12/h2-6H,1H3
InChIKey
IQUSSGUFGHSTJV-UHFFFAOYSA-N
Compound name
1-(1-methylimidazol-4-yl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

176.06981 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 133.5
[M+Na]+ 199.05903 145.6
[M-H]- 175.06253 136.4
[M+NH4]+ 194.10363 152.1
[M+K]+ 215.03297 143.2
[M+H-H2O]+ 159.06707 124.8
[M+HCOO]- 221.06801 157.9
[M+CH3COO]- 235.08366 147.9
[M+Na-2H]- 197.04448 138.6
[M]+ 176.06926 137.0
[M]- 176.07036 137.0
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

patents stripe