CID 37134534

864723-38-6

Structural Information

Molecular Formula
C6H6N2O
SMILES
C=CN1C=C(C=N1)C=O
InChI
InChI=1S/C6H6N2O/c1-2-8-4-6(5-9)3-7-8/h2-5H,1H2
InChIKey
PRSLZFDVLMBABM-UHFFFAOYSA-N
Compound name
1-ethenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

122.04801 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 121.1
[M+Na]+ 145.03723 131.3
[M-H]- 121.04073 122.5
[M+NH4]+ 140.08183 142.8
[M+K]+ 161.01117 129.7
[M+H-H2O]+ 105.04527 114.7
[M+HCOO]- 167.04621 145.4
[M+CH3COO]- 181.06186 169.1
[M+Na-2H]- 143.02268 127.9
[M]+ 122.04746 122.1
[M]- 122.04856 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe