CID 113462

97890-10-3

Structural Information

Molecular Formula
C16H28O
SMILES
CC1CC(C(C2(C1C3C2CCCC3)C)O)(C)C
InChI
InChI=1S/C16H28O/c1-10-9-15(2,3)14(17)16(4)12-8-6-5-7-11(12)13(10)16/h10-14,17H,5-9H2,1-4H3
InChIKey
MXCYLKRANYTTLV-UHFFFAOYSA-N
Compound name
2,2,4,8b-tetramethyl-1,3,4,4a,4b,5,6,7,8,8a-decahydrobiphenylen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.221296 158.2
[M+Na]+ 259.203238 163.8
[M-H]- 235.206744 161.7
[M+NH4]+ 254.247843 175.6
[M+K]+ 275.177178 162.9
[M+H-H2O]+ 219.211280 149.7
[M+HCOO]- 281.212221 169.8
[M+CH3COO]- 295.227871 197.8
[M+Na-2H]- 257.188686 160.9
[M]+ 236.21347142 162.4
[M]- 236.21456858 162.4
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.