CID 6474261

Nsc689174

Structural Information

Molecular Formula
C13H11NO
SMILES
C1=CC(=C(/C=C/C2=CN=CC=C2)O)C=C1
InChI
InChI=1S/C13H11NO/c15-13(12-5-1-2-6-12)8-7-11-4-3-9-14-10-11/h1-10,15H/b8-7+
InChIKey
WPUBGKPVIJJSDD-BQYQJAHWSA-N
Compound name
(E)-1-cyclopenta-2,4-dien-1-ylidene-3-pyridin-3-ylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08406 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 144.1
[M+Na]+ 220.07328 151.1
[M-H]- 196.07678 148.0
[M+NH4]+ 215.11788 162.7
[M+K]+ 236.04722 146.4
[M+H-H2O]+ 180.08132 136.8
[M+HCOO]- 242.08226 166.5
[M+CH3COO]- 256.09791 178.8
[M+Na-2H]- 218.05873 148.4
[M]+ 197.08351 141.5
[M]- 197.08461 141.5
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.