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 159.1
[M+Na]+ 287.10424 165.1
[M-H]- 263.10774 160.4
[M+NH4]+ 282.14884 181.4
[M+K]+ 303.07818 160.1
[M+H-H2O]+ 247.11228 151.1
[M+HCOO]- 309.11322 170.2
[M+CH3COO]- 323.12887 169.2
[M+Na-2H]- 285.08969 168.6
[M]+ 264.11447 160.5
[M]- 264.11557 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