CID 218299

Brn 2462900

Structural Information

Molecular Formula
C18H16O2
SMILES
C1CC2=CC=CC=C2C(=CCC(=O)O)C3=CC=CC=C31
InChI
InChI=1S/C18H16O2/c19-18(20)12-11-17-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)17/h1-8,11H,9-10,12H2,(H,19,20)
InChIKey
PZVBWDPQGLSYGO-UHFFFAOYSA-N
Compound name
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11502 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 158.1
[M+Na]+ 287.10424 170.0
[M+NH4]+ 282.14884 166.4
[M+K]+ 303.07818 163.5
[M-H]- 263.10774 160.9
[M+Na-2H]- 285.08969 163.9
[M]+ 264.11447 160.7
[M]- 264.11557 160.7
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.