CID 131769785

1,10-oxidocalamenene

Structural Information

Molecular Formula
C15H20O
SMILES
CC1=CC2=C(C=C1)[C@@]3(CC[C@@H]2C(O3)(C)C)C
InChI
InChI=1S/C15H20O/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3/t12-,15-/m0/s1
InChIKey
RWNMGACJGXHHHN-WFASDCNBSA-N
Compound name
(1S,8S)-4,8,10,10-tetramethyl-9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 149.1
[M+Na]+ 239.14063 156.7
[M-H]- 215.14413 150.2
[M+NH4]+ 234.18523 175.5
[M+K]+ 255.11457 154.1
[M+H-H2O]+ 199.14867 142.4
[M+HCOO]- 261.14961 160.4
[M+CH3COO]- 275.16526 160.9
[M+Na-2H]- 237.12608 160.7
[M]+ 216.15086 152.8
[M]- 216.15196 152.8
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

No patent data available for this compound.