CID 44153824

94200-28-9

Structural Information

Molecular Formula
C16H30O
SMILES
CC1=CCC(C1(C)C)CCC(C)CC(C)CO
InChI
InChI=1S/C16H30O/c1-12(10-13(2)11-17)6-8-15-9-7-14(3)16(15,4)5/h7,12-13,15,17H,6,8-11H2,1-5H3
InChIKey
OEEATFVPGMIOBV-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.22966 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.236936 162.0
[M+Na]+ 261.218878 167.2
[M-H]- 237.222384 163.7
[M+NH4]+ 256.263483 183.4
[M+K]+ 277.192818 164.7
[M+H-H2O]+ 221.226920 157.7
[M+HCOO]- 283.227861 180.2
[M+CH3COO]- 297.243511 195.8
[M+Na-2H]- 259.204326 160.3
[M]+ 238.22911142 163.1
[M]- 238.23020858 163.1
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.