CID 21825964

4-ethenyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H8N2
SMILES
CN1C=C(C=N1)C=C
InChI
InChI=1S/C6H8N2/c1-3-6-4-7-8(2)5-6/h3-5H,1H2,2H3
InChIKey
NRUZFGSVBJNUEO-UHFFFAOYSA-N
Compound name
4-ethenyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

108.06875 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.07603 119.2
[M+Na]+ 131.05797 129.1
[M-H]- 107.06147 120.5
[M+NH4]+ 126.10257 141.5
[M+K]+ 147.03191 127.6
[M+H-H2O]+ 91.066010 112.8
[M+HCOO]- 153.06695 143.0
[M+CH3COO]- 167.08260 168.1
[M+Na-2H]- 129.04342 125.9
[M]+ 108.06820 119.4
[M]- 108.06930 119.4
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