CID 6455496

Dtxsid80986919

Structural Information

Molecular Formula
C16H28O
SMILES
CC12CCCC(=C)C1CC(CC2)CC(C)(C)O
InChI
InChI=1S/C16H28O/c1-12-6-5-8-16(4)9-7-13(10-14(12)16)11-15(2,3)17/h13-14,17H,1,5-11H2,2-4H3
InChIKey
GMZKBWZWDAAWPI-UHFFFAOYSA-N
Compound name
1-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 159.8
[M+Na]+ 259.20324 169.3
[M+NH4]+ 254.24784 170.0
[M+K]+ 275.17718 160.7
[M-H]- 235.20674 161.4
[M+Na-2H]- 257.18869 163.7
[M]+ 236.21347 161.7
[M]- 236.21457 161.7
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.