CID 93639

5h-3,5a-epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl-

Structural Information

Molecular Formula
C18H30O2
SMILES
CC1(CCCC2(C1CCC34C2CCC(O3)(OC4)C)C)C
InChI
InChI=1S/C18H30O2/c1-15(2)8-5-9-16(3)13(15)7-11-18-12-19-17(4,20-18)10-6-14(16)18/h13-14H,5-12H2,1-4H3
InChIKey
PHNCACYNYORRNS-UHFFFAOYSA-N
Compound name
5,5,9,13-tetramethyl-14,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

286
Patents

278.22458 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 165.0
[M+Na]+ 301.213798 171.0
[M-H]- 277.217304 170.0
[M+NH4]+ 296.258403 190.8
[M+K]+ 317.187738 169.1
[M+H-H2O]+ 261.221840 158.4
[M+HCOO]- 323.222781 173.2
[M+CH3COO]- 337.238431 175.4
[M+Na-2H]- 299.199246 170.8
[M]+ 278.22403142 161.5
[M]- 278.22512858 161.5
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