CID 83764649

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

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=CC(=NN1C)/C=C/C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-6-5-7(9-10(6)2)3-4-8(11)12/h3-5H,1-2H3,(H,11,12)/b4-3+
InChIKey
XMPSEZCXHKJDBF-ONEGZZNKSA-N
Compound name
(E)-3-(1,5-dimethylpyrazol-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 134.3
[M+Na]+ 189.06345 143.9
[M-H]- 165.06695 134.6
[M+NH4]+ 184.10805 153.8
[M+K]+ 205.03739 141.7
[M+H-H2O]+ 149.07149 128.0
[M+HCOO]- 211.07243 155.7
[M+CH3COO]- 225.08808 175.8
[M+Na-2H]- 187.04890 137.6
[M]+ 166.07368 135.2
[M]- 166.07478 135.2
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.