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

290
Patents

278.22458 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.23186 165.0
[M+Na]+ 301.21380 171.0
[M-H]- 277.21730 170.0
[M+NH4]+ 296.25840 190.8
[M+K]+ 317.18774 169.1
[M+H-H2O]+ 261.22184 158.4
[M+HCOO]- 323.22278 173.2
[M+CH3COO]- 337.23843 175.4
[M+Na-2H]- 299.19925 170.8
[M]+ 278.22403 161.5
[M]- 278.22513 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