CID 17817134

1338986-66-5

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]+ 153.06586 130.1
[M+Na]+ 175.04780 139.0
[M-H]- 151.05130 130.0
[M+NH4]+ 170.09240 149.6
[M+K]+ 191.02174 137.1
[M+H-H2O]+ 135.05584 123.5
[M+HCOO]- 197.05678 151.7
[M+CH3COO]- 211.07243 172.3
[M+Na-2H]- 173.03325 134.5
[M]+ 152.05803 130.3
[M]- 152.05913 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.