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]+ 179.08151 138.3
[M+Na]+ 201.06345 146.8
[M-H]- 177.06695 138.0
[M+NH4]+ 196.10805 156.8
[M+K]+ 217.03739 143.7
[M+H-H2O]+ 161.07149 131.5
[M+HCOO]- 223.07243 159.5
[M+CH3COO]- 237.08808 176.8
[M+Na-2H]- 199.04890 141.7
[M]+ 178.07368 138.5
[M]- 178.07478 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.