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]+ 265.122296 159.1
[M+Na]+ 287.104238 165.1
[M-H]- 263.107744 160.4
[M+NH4]+ 282.148843 181.4
[M+K]+ 303.078178 160.1
[M+H-H2O]+ 247.112280 151.1
[M+HCOO]- 309.113221 170.2
[M+CH3COO]- 323.128871 169.2
[M+Na-2H]- 285.089686 168.6
[M]+ 264.11447142 160.5
[M]- 264.11556858 160.5
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