CID 17817134

1-(prop-2-en-1-yl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C=CCN1C(=CC=N1)C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-2-5-9-6(7(10)11)3-4-8-9/h2-4H,1,5H2,(H,10,11)
InChIKey
ODXAGGFUYSIESM-UHFFFAOYSA-N
Compound name
2-prop-2-enylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 130.1
[M+Na]+ 175.047798 139.0
[M-H]- 151.051304 130.0
[M+NH4]+ 170.092403 149.6
[M+K]+ 191.021738 137.1
[M+H-H2O]+ 135.055840 123.5
[M+HCOO]- 197.056781 151.7
[M+CH3COO]- 211.072431 172.3
[M+Na-2H]- 173.033246 134.5
[M]+ 152.05803142 130.3
[M]- 152.05912858 130.3
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

No patent data available for this compound.