CID 172905

Einecs 276-044-1

Structural Information

Molecular Formula
C16H28O
SMILES
CC1CC(CC(C1)O)CC2CC=C(C2(C)C)C
InChI
InChI=1S/C16H28O/c1-11-7-13(10-15(17)8-11)9-14-6-5-12(2)16(14,3)4/h5,11,13-15,17H,6-10H2,1-4H3
InChIKey
QIKFHKJUSSWJJF-UHFFFAOYSA-N
Compound name
3-methyl-5-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 158.2
[M+Na]+ 259.203238 164.1
[M-H]- 235.206744 163.2
[M+NH4]+ 254.247843 179.8
[M+K]+ 275.177178 160.5
[M+H-H2O]+ 219.211280 153.3
[M+HCOO]- 281.212221 175.6
[M+CH3COO]- 295.227871 193.0
[M+Na-2H]- 257.188686 156.9
[M]+ 236.21347142 154.4
[M]- 236.21456858 154.4
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.