CID 11264493

4a,7-methano-4ah-naphth[1,8a-b]oxirene, octahydro-4,4,8,8-tetramethyl-, (1ar,4ar,7s,8as)-

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CC[C@@H]2[C@]3([C@@]14CC[C@@H](C4)C3(C)C)O2)C
InChI
InChI=1S/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3/t10-,11+,14+,15-/m0/s1
InChIKey
VQHLGZRKOZIABH-DRABBMOASA-N
Compound name
(1R,5R,7S,9S)-2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.01,7.05,7]dodecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

146
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 149.8
[M+Na]+ 243.171928 160.3
[M-H]- 219.175434 157.1
[M+NH4]+ 238.216533 175.7
[M+K]+ 259.145868 158.8
[M+H-H2O]+ 203.179970 147.0
[M+HCOO]- 265.180911 163.3
[M+CH3COO]- 279.196561 162.9
[M+Na-2H]- 241.157376 155.9
[M]+ 220.18216142 153.8
[M]- 220.18325858 153.8
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.