CID 6912755

Nsc689168

Structural Information

Molecular Formula
C15H14O2
SMILES
COC1=CC=CC(=C1)/C(=C/C=C2C=CC=C2)/O
InChI
InChI=1S/C15H14O2/c1-17-14-8-4-7-13(11-14)15(16)10-9-12-5-2-3-6-12/h2-11,16H,1H3/b15-10-
InChIKey
ANILHFMRPIKUEN-GDNBJRDFSA-N
Compound name
(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(3-methoxyphenyl)prop-1-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 152.1
[M+Na]+ 249.088598 159.1
[M-H]- 225.092104 157.5
[M+NH4]+ 244.133203 171.2
[M+K]+ 265.062538 154.6
[M+H-H2O]+ 209.096640 145.6
[M+HCOO]- 271.097581 175.3
[M+CH3COO]- 285.113231 185.4
[M+Na-2H]- 247.074046 154.7
[M]+ 226.09883142 151.5
[M]- 226.09992858 151.5
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.