CID 22326187

95851-08-4

Structural Information

Molecular Formula
C16H32O
SMILES
CCCC(CCC1C(CCC(C1(C)C)C)C)O
InChI
InChI=1S/C16H32O/c1-6-7-14(17)10-11-15-12(2)8-9-13(3)16(15,4)5/h12-15,17H,6-11H2,1-5H3
InChIKey
ZXEXKFFXTYZXJT-UHFFFAOYSA-N
Compound name
1-(2,2,3,6-tetramethylcyclohexyl)hexan-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

323
Patents

240.24532 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.25260 161.7
[M+Na]+ 263.23454 166.1
[M-H]- 239.23804 163.0
[M+NH4]+ 258.27914 181.4
[M+K]+ 279.20848 163.7
[M+H-H2O]+ 223.24258 157.1
[M+HCOO]- 285.24352 177.2
[M+CH3COO]- 299.25917 196.9
[M+Na-2H]- 261.21999 160.8
[M]+ 240.24477 160.2
[M]- 240.24587 160.2
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.