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

11
Patents

174.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05020 139.3
[M+Na]+ 197.03214 150.1
[M+NH4]+ 192.07674 142.6
[M+K]+ 213.00608 142.1
[M-H]- 173.03564 131.9
[M+Na-2H]- 195.01759 142.2
[M]+ 174.04237 137.6
[M]- 174.04347 137.6
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