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]+ 265.122296 157.8
[M+Na]+ 287.104238 163.7
[M-H]- 263.107744 162.9
[M+NH4]+ 282.148843 174.9
[M+K]+ 303.078178 162.4
[M+H-H2O]+ 247.112280 153.6
[M+HCOO]- 309.113221 175.6
[M+CH3COO]- 323.128871 168.8
[M+Na-2H]- 285.089686 163.3
[M]+ 264.11447142 153.8
[M]- 264.11556858 153.8
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

patents stripe