CID 1529858

(2e)-3-(1-methyl-1h-pyrazol-4-yl)-2-propenoic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CN1C=C(C=N1)/C=C/C(=O)O
InChI
InChI=1S/C7H8N2O2/c1-9-5-6(4-8-9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/b3-2+
InChIKey
PTIQETSIDLDEMZ-NSCUHMNNSA-N
Compound name
(E)-3-(1-methylpyrazol-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

152.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 130.3
[M+Na]+ 175.047798 139.4
[M-H]- 151.051304 130.3
[M+NH4]+ 170.092403 150.0
[M+K]+ 191.021738 137.4
[M+H-H2O]+ 135.055840 123.8
[M+HCOO]- 197.056781 152.0
[M+CH3COO]- 211.072431 171.6
[M+Na-2H]- 173.033246 134.7
[M]+ 152.05803142 130.5
[M]- 152.05912858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe