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 148.4
[M+Na]+ 239.14063 162.2
[M+NH4]+ 234.18523 163.3
[M+K]+ 255.11457 150.0
[M-H]- 215.14413 151.2
[M+Na-2H]- 237.12608 151.7
[M]+ 216.15086 151.8
[M]- 216.15196 151.8
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.