CID 108446

1,2,3,3,4,5,6-heptamethylbicyclo(2.2.2)oct-5-en-2-ol

Structural Information

Molecular Formula
C15H26O
SMILES
CC1=C(C2(CCC1(C(C2(C)O)(C)C)C)C)C
InChI
InChI=1S/C15H26O/c1-10-11(2)14(6)9-8-13(10,5)12(3,4)15(14,7)16/h16H,8-9H2,1-7H3
InChIKey
JFTZOJLENZMCHP-UHFFFAOYSA-N
Compound name
1,2,3,3,4,5,6-heptamethylbicyclo[2.2.2]oct-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.19836 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 155.0
[M+Na]+ 245.187578 164.5
[M-H]- 221.191084 152.3
[M+NH4]+ 240.232183 186.0
[M+K]+ 261.161518 160.5
[M+H-H2O]+ 205.195620 151.4
[M+HCOO]- 267.196561 164.7
[M+CH3COO]- 281.212211 197.3
[M+Na-2H]- 243.173026 165.6
[M]+ 222.19781142 159.9
[M]- 222.19890858 159.9
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

patents stripe