CID 93639

57345-19-4

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
2
Annotation Hits

0
References

241
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 168.9
[M+Na]+ 301.21380 178.1
[M+NH4]+ 296.25840 184.8
[M+K]+ 317.18774 165.8
[M-H]- 277.21730 174.0
[M+Na-2H]- 299.19925 173.2
[M]+ 278.22403 172.4
[M]- 278.22513 172.4
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