CID 2763719

2-propenoic acid,2-cyano-3-(3-pyridinyl)-

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=CC(=CN=C1)C=C(C#N)C(=O)O
InChI
InChI=1S/C9H6N2O2/c10-5-8(9(12)13)4-7-2-1-3-11-6-7/h1-4,6H,(H,12,13)
InChIKey
SJDCYAGLGBTHKD-UHFFFAOYSA-N
Compound name
2-cyano-3-pyridin-3-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

174.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.050196 138.5
[M+Na]+ 197.032138 147.4
[M-H]- 173.035644 138.9
[M+NH4]+ 192.076743 154.3
[M+K]+ 213.006078 144.4
[M+H-H2O]+ 157.040180 125.4
[M+HCOO]- 219.041121 155.6
[M+CH3COO]- 233.056771 188.6
[M+Na-2H]- 195.017586 143.2
[M]+ 174.04237142 132.0
[M]- 174.04346858 132.0
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