CID 6474243

Nsc689161

Structural Information

Molecular Formula
C16H16O3
SMILES
COC1=C(C=C(C=C1)/C=C/C(=C2C=CC=C2)O)OC
InChI
InChI=1S/C16H16O3/c1-18-15-10-8-12(11-16(15)19-2)7-9-14(17)13-5-3-4-6-13/h3-11,17H,1-2H3/b9-7+
InChIKey
IHOBFASXLNDXOB-VQHVLOKHSA-N
Compound name
(E)-1-cyclopenta-2,4-dien-1-ylidene-3-(3,4-dimethoxyphenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10995 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 159.2
[M+Na]+ 279.09917 166.6
[M-H]- 255.10267 164.8
[M+NH4]+ 274.14377 177.3
[M+K]+ 295.07311 162.5
[M+H-H2O]+ 239.10721 152.6
[M+HCOO]- 301.10815 182.3
[M+CH3COO]- 315.12380 191.6
[M+Na-2H]- 277.08462 160.6
[M]+ 256.10940 160.8
[M]- 256.11050 160.8
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.