CID 6420997

1-ethenyl-1h-pyrazole

Structural Information

Molecular Formula
C5H6N2
SMILES
C=CN1C=CC=N1
InChI
InChI=1S/C5H6N2/c1-2-7-5-3-4-6-7/h2-5H,1H2
InChIKey
NWHSSMRWECHZEP-UHFFFAOYSA-N
Compound name
1-ethenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3363
Patents

94.0531 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.060376 115.0
[M+Na]+ 117.04232 124.4
[M-H]- 93.045824 116.1
[M+NH4]+ 112.08692 137.6
[M+K]+ 133.01626 123.3
[M+H-H2O]+ 77.050360 108.5
[M+HCOO]- 139.05130 139.2
[M+CH3COO]- 153.06695 164.0
[M+Na-2H]- 115.02777 123.0
[M]+ 94.052551 114.5
[M]- 94.053649 114.5
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