CID 52915627

1296137-12-6

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C1=C(C=NN1)/C=C/C(=O)O
InChI
InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-8-4-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey
WDHPQYQBAOMCNI-OWOJBTEDSA-N
Compound name
(E)-3-(1H-pyrazol-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

138.04292 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 127.1
[M+Na]+ 161.032138 135.2
[M-H]- 137.035644 125.5
[M+NH4]+ 156.076743 146.3
[M+K]+ 177.006078 132.6
[M+H-H2O]+ 121.040180 120.7
[M+HCOO]- 183.041121 147.6
[M+CH3COO]- 197.056771 164.9
[M+Na-2H]- 159.017586 132.2
[M]+ 138.04237142 124.6
[M]- 138.04346858 124.6
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