CID 101215174

(8z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene

Structural Information

Molecular Formula
C15H24O2
SMILES
CC/1(CC2C(O2)(CCC3C(O3)(C/C=C1)C)C)C
InChI
InChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(16-14)6-9-15(4)12(10-13)17-15/h5,7,11-12H,6,8-10H2,1-4H3/b7-5-
InChIKey
UFBUQKAQYQDEOE-ALCCZGGFSA-N
Compound name
(8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.04,6]tridec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 159.5
[M+Na]+ 259.166848 167.1
[M-H]- 235.170354 164.9
[M+NH4]+ 254.211453 168.7
[M+K]+ 275.140788 174.0
[M+H-H2O]+ 219.174890 159.6
[M+HCOO]- 281.175831 170.2
[M+CH3COO]- 295.191481 168.9
[M+Na-2H]- 257.152296 165.6
[M]+ 236.17708142 164.4
[M]- 236.17817858 164.4
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.