CID 3085627

5-((2,2,3-trimethyl-3-cyclopenten-1-yl)methyl)-3-methyl-2-cyclohexen-1-ol

Structural Information

Molecular Formula
C16H26O
SMILES
CC1=C[C@@H](C[C@@H](C1)C[C@@H]2CC=C(C2(C)C)C)O
InChI
InChI=1S/C16H26O/c1-11-7-13(10-15(17)8-11)9-14-6-5-12(2)16(14,3)4/h5,8,13-15,17H,6-7,9-10H2,1-4H3/t13-,14-,15-/m0/s1
InChIKey
CEWHOLRJBQGQBR-KKUMJFAQSA-N
Compound name
(1R,5R)-3-methyl-5-[[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]methyl]cyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.19836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 156.2
[M+Na]+ 257.18758 163.2
[M-H]- 233.19108 161.7
[M+NH4]+ 252.23218 178.0
[M+K]+ 273.16152 159.4
[M+H-H2O]+ 217.19562 151.3
[M+HCOO]- 279.19656 175.2
[M+CH3COO]- 293.21221 192.6
[M+Na-2H]- 255.17303 156.0
[M]+ 234.19781 154.0
[M]- 234.19891 154.0
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.