CID 6912754

Nsc689166

Structural Information

Molecular Formula
C15H14O2
SMILES
COC1=CC=C(C=C1)/C(=C/C=C2C=CC=C2)/O
InChI
InChI=1S/C15H14O2/c1-17-14-9-7-13(8-10-14)15(16)11-6-12-4-2-3-5-12/h2-11,16H,1H3/b15-11-
InChIKey
UWLYMVCKLZMKAC-PTNGSMBKSA-N
Compound name
(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-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]+ 227.10666 152.1
[M+Na]+ 249.08860 159.1
[M-H]- 225.09210 157.5
[M+NH4]+ 244.13320 171.2
[M+K]+ 265.06254 154.6
[M+H-H2O]+ 209.09664 145.6
[M+HCOO]- 271.09758 175.3
[M+CH3COO]- 285.11323 185.4
[M+Na-2H]- 247.07405 154.7
[M]+ 226.09883 151.5
[M]- 226.09993 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.