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 157.8
[M+Na]+ 287.10424 163.7
[M-H]- 263.10774 162.9
[M+NH4]+ 282.14884 174.9
[M+K]+ 303.07818 162.4
[M+H-H2O]+ 247.11228 153.6
[M+HCOO]- 309.11322 175.6
[M+CH3COO]- 323.12887 168.8
[M+Na-2H]- 285.08969 163.3
[M]+ 264.11447 153.8
[M]- 264.11557 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