CID 168265148

(1s,9s,13s,14r)-14-hydroxy-5,5,9,14-tetramethyl-tetracyclo[11.2.1.01,10.04,9]hexadecan-6-one

Structural Information

Molecular Formula
C20H32O2
SMILES
C[C@@]12CCC(=O)C(C1CC[C@]34C2CC[C@@H](C3)[C@](C4)(C)O)(C)C
InChI
InChI=1S/C20H32O2/c1-17(2)14-7-10-20-11-13(19(4,22)12-20)5-6-15(20)18(14,3)9-8-16(17)21/h13-15,22H,5-12H2,1-4H3/t13-,14?,15?,18+,19+,20-/m0/s1
InChIKey
BEHZKUOCCQYYJE-QGLHEFPTSA-N
Compound name
(1S,9S,13S,14R)-14-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.24023 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 175.6
[M+Na]+ 327.22945 182.1
[M-H]- 303.23295 178.2
[M+NH4]+ 322.27405 202.8
[M+K]+ 343.20339 176.2
[M+H-H2O]+ 287.23749 169.8
[M+HCOO]- 349.23843 183.5
[M+CH3COO]- 363.25408 184.9
[M+Na-2H]- 325.21490 177.7
[M]+ 304.23968 170.0
[M]- 304.24078 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.