CID 122240460

(2e)-3-[1-(prop-2-en-1-yl)-1h-pyrazol-4-yl]prop-2-enoic acid

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C=CCN1C=C(C=N1)/C=C/C(=O)O
InChI
InChI=1S/C9H10N2O2/c1-2-5-11-7-8(6-10-11)3-4-9(12)13/h2-4,6-7H,1,5H2,(H,12,13)/b4-3+
InChIKey
OLNYZYVDEQSDFC-ONEGZZNKSA-N
Compound name
(E)-3-(1-prop-2-enylpyrazol-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 138.3
[M+Na]+ 201.063448 146.8
[M-H]- 177.066954 138.0
[M+NH4]+ 196.108053 156.8
[M+K]+ 217.037388 143.7
[M+H-H2O]+ 161.071490 131.5
[M+HCOO]- 223.072431 159.5
[M+CH3COO]- 237.088081 176.8
[M+Na-2H]- 199.048896 141.7
[M]+ 178.07368142 138.5
[M]- 178.07477858 138.5
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.