CID 106774

1h,4h-3a,8a-epoxy-4,7-methanoazulene, hexahydro-1,4,10,10-tetramethyl-

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC23C1(O2)CC4CCC3(C4(C)C)C
InChI
InChI=1S/C15H24O/c1-10-5-8-15-13(4)7-6-11(12(13,2)3)9-14(10,15)16-15/h10-11H,5-9H2,1-4H3
InChIKey
ITGOXMFOJUVODK-UHFFFAOYSA-N
Compound name
2,8,12,12-tetramethyl-11-oxatetracyclo[5.3.1.12,5.01,7]dodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 150.7
[M+Na]+ 243.17193 161.4
[M-H]- 219.17543 158.4
[M+NH4]+ 238.21653 176.5
[M+K]+ 259.14587 159.9
[M+H-H2O]+ 203.17997 147.9
[M+HCOO]- 265.18091 164.6
[M+CH3COO]- 279.19656 163.9
[M+Na-2H]- 241.15738 156.5
[M]+ 220.18216 154.1
[M]- 220.18326 154.1
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.