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]+ 217.158686 149.1
[M+Na]+ 239.140628 156.7
[M-H]- 215.144134 150.2
[M+NH4]+ 234.185233 175.5
[M+K]+ 255.114568 154.1
[M+H-H2O]+ 199.148670 142.4
[M+HCOO]- 261.149611 160.4
[M+CH3COO]- 275.165261 160.9
[M+Na-2H]- 237.126076 160.7
[M]+ 216.15086142 152.8
[M]- 216.15195858 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.