CID 45791205

1-allyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O
SMILES
C=CCN1C=C(C=N1)C=O
InChI
InChI=1S/C7H8N2O/c1-2-3-9-5-7(6-10)4-8-9/h2,4-6H,1,3H2
InChIKey
LIMBCPYABYDBSX-UHFFFAOYSA-N
Compound name
1-prop-2-enylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

136.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.8
[M+Na]+ 159.05288 135.5
[M-H]- 135.05638 127.0
[M+NH4]+ 154.09748 146.9
[M+K]+ 175.02682 133.6
[M+H-H2O]+ 119.06092 119.1
[M+HCOO]- 181.06186 149.7
[M+CH3COO]- 195.07751 172.1
[M+Na-2H]- 157.03833 131.9
[M]+ 136.06311 127.1
[M]- 136.06421 127.1
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