CID 13757183

13294-87-6

Structural Information

Molecular Formula
C18H16O2
SMILES
CC1(CC2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C18H16O2/c1-18(17(19)20)10-15-11-6-2-4-8-13(11)16(18)14-9-5-3-7-12(14)15/h2-9,15-16H,10H2,1H3,(H,19,20)
InChIKey
NRUFZVGNVQBKSX-UHFFFAOYSA-N
Compound name
15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

264.11502 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 156.3
[M+Na]+ 287.10424 170.8
[M+NH4]+ 282.14884 169.2
[M+K]+ 303.07818 160.2
[M-H]- 263.10774 158.7
[M+Na-2H]- 285.08969 160.3
[M]+ 264.11447 159.4
[M]- 264.11557 159.4
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

patents stripe