CID 10399059

10,11-epidioxycalamene

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1=CC2=C(C=C1)C3(CCC2C(OO3)(C)C)C
InChI
InChI=1S/C15H20O2/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)17-16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3
InChIKey
ALXPNLYWXCZUCG-UHFFFAOYSA-N
Compound name
4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 157.2
[M+Na]+ 255.13555 167.6
[M-H]- 231.13905 162.5
[M+NH4]+ 250.18015 178.6
[M+K]+ 271.10949 164.0
[M+H-H2O]+ 215.14359 156.7
[M+HCOO]- 277.14453 167.8
[M+CH3COO]- 291.16018 168.1
[M+Na-2H]- 253.12100 168.0
[M]+ 232.14578 159.4
[M]- 232.14688 159.4
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.