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

11
Patents

176.06981 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 133.5
[M+Na]+ 199.059028 145.6
[M-H]- 175.062534 136.4
[M+NH4]+ 194.103633 152.1
[M+K]+ 215.032968 143.2
[M+H-H2O]+ 159.067070 124.8
[M+HCOO]- 221.068011 157.9
[M+CH3COO]- 235.083661 147.9
[M+Na-2H]- 197.044476 138.6
[M]+ 176.06926142 137.0
[M]- 176.07035858 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