CID 6913762

Nsc689169

Structural Information

Molecular Formula
C15H14O3
SMILES
COC1=C(C=CC(=C1)/C(=C/C=C2C=CC=C2)/O)O
InChI
InChI=1S/C15H14O3/c1-18-15-10-12(7-9-14(15)17)13(16)8-6-11-4-2-3-5-11/h2-10,16-17H,1H3/b13-8-
InChIKey
UGFNUMHDSKYHOO-JYRVWZFOSA-N
Compound name
4-[(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 155.0
[M+Na]+ 265.08352 162.4
[M-H]- 241.08702 159.5
[M+NH4]+ 260.12812 173.0
[M+K]+ 281.05746 157.7
[M+H-H2O]+ 225.09156 148.9
[M+HCOO]- 287.09250 176.9
[M+CH3COO]- 301.10815 186.1
[M+Na-2H]- 263.06897 156.6
[M]+ 242.09375 154.4
[M]- 242.09485 154.4
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.