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]+ 239.23694 162.0
[M+Na]+ 261.21888 167.2
[M-H]- 237.22238 163.7
[M+NH4]+ 256.26348 183.4
[M+K]+ 277.19282 164.7
[M+H-H2O]+ 221.22692 157.7
[M+HCOO]- 283.22786 180.2
[M+CH3COO]- 297.24351 195.8
[M+Na-2H]- 259.20433 160.3
[M]+ 238.22911 163.1
[M]- 238.23021 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.