CID 22280261

4-ethenyl-1h-pyrazole

Structural Information

Molecular Formula
C5H6N2
SMILES
C=CC1=CNN=C1
InChI
InChI=1S/C5H6N2/c1-2-5-3-6-7-4-5/h2-4H,1H2,(H,6,7)
InChIKey
UMRPGBHVNGOFMG-UHFFFAOYSA-N
Compound name
4-ethenyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

94.0531 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.060376 117.2
[M+Na]+ 117.04232 128.9
[M+NH4]+ 112.08692 125.4
[M+K]+ 133.01626 124.7
[M-H]- 93.045824 117.2
[M+Na-2H]- 115.02777 123.4
[M]+ 94.052551 118.6
[M]- 94.053649 118.6
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