CID 55255566

(2e)-3-(1,3-dimethyl-1h-pyrazol-5-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=NN(C(=C1)/C=C/C(=O)O)C
InChI
InChI=1S/C8H10N2O2/c1-6-5-7(10(2)9-6)3-4-8(11)12/h3-5H,1-2H3,(H,11,12)/b4-3+
InChIKey
RHBZNFQYXOSLBU-ONEGZZNKSA-N
Compound name
(E)-3-(2,5-dimethylpyrazol-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

166.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 136.1
[M+Na]+ 189.06345 146.8
[M+NH4]+ 184.10805 142.3
[M+K]+ 205.03739 144.1
[M-H]- 165.06695 134.7
[M+Na-2H]- 187.04890 139.6
[M]+ 166.07368 136.8
[M]- 166.07478 136.8
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

patents stripe