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]+ 235.205636 156.2
[M+Na]+ 257.187578 163.2
[M-H]- 233.191084 161.7
[M+NH4]+ 252.232183 178.0
[M+K]+ 273.161518 159.4
[M+H-H2O]+ 217.195620 151.3
[M+HCOO]- 279.196561 175.2
[M+CH3COO]- 293.212211 192.6
[M+Na-2H]- 255.173026 156.0
[M]+ 234.19781142 154.0
[M]- 234.19890858 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.