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]+ 305.247506 175.6
[M+Na]+ 327.229448 182.1
[M-H]- 303.232954 178.2
[M+NH4]+ 322.274053 202.8
[M+K]+ 343.203388 176.2
[M+H-H2O]+ 287.237490 169.8
[M+HCOO]- 349.238431 183.5
[M+CH3COO]- 363.254081 184.9
[M+Na-2H]- 325.214896 177.7
[M]+ 304.23968142 170.0
[M]- 304.24077858 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.