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]+ 223.20564 155.0
[M+Na]+ 245.18758 164.5
[M-H]- 221.19108 152.3
[M+NH4]+ 240.23218 186.0
[M+K]+ 261.16152 160.5
[M+H-H2O]+ 205.19562 151.4
[M+HCOO]- 267.19656 164.7
[M+CH3COO]- 281.21221 197.3
[M+Na-2H]- 243.17303 165.6
[M]+ 222.19781 159.9
[M]- 222.19891 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