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]+ 237.22130 158.2
[M+Na]+ 259.20324 164.1
[M-H]- 235.20674 163.2
[M+NH4]+ 254.24784 179.8
[M+K]+ 275.17718 160.5
[M+H-H2O]+ 219.21128 153.3
[M+HCOO]- 281.21222 175.6
[M+CH3COO]- 295.22787 193.0
[M+Na-2H]- 257.18869 156.9
[M]+ 236.21347 154.4
[M]- 236.21457 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.