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]+ 221.189986 150.7
[M+Na]+ 243.171928 161.4
[M-H]- 219.175434 158.4
[M+NH4]+ 238.216533 176.5
[M+K]+ 259.145868 159.9
[M+H-H2O]+ 203.179970 147.9
[M+HCOO]- 265.180911 164.6
[M+CH3COO]- 279.196561 163.9
[M+Na-2H]- 241.157376 156.5
[M]+ 220.18216142 154.1
[M]- 220.18325858 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.