CID 157009793

(2s,3r,4as,8ar)-3-tert-butyl-8a-methyl-5-methylidene-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol

Structural Information

Molecular Formula
C16H28O
SMILES
C[C@]12CCCC(=C)[C@@H]1C[C@@H]([C@H](C2)O)C(C)(C)C
InChI
InChI=1S/C16H28O/c1-11-7-6-8-16(5)10-14(17)13(9-12(11)16)15(2,3)4/h12-14,17H,1,6-10H2,2-5H3/t12-,13-,14-,16+/m0/s1
InChIKey
RDBMNHJYYPKUNW-RZLSGREXSA-N
Compound name
(2S,3R,4aS,8aR)-3-tert-butyl-8a-methyl-5-methylidene-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.21402 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 158.8
[M+Na]+ 259.20324 163.7
[M-H]- 235.20674 160.9
[M+NH4]+ 254.24784 179.5
[M+K]+ 275.17718 160.1
[M+H-H2O]+ 219.21128 154.5
[M+HCOO]- 281.21222 170.9
[M+CH3COO]- 295.22787 193.0
[M+Na-2H]- 257.18869 161.0
[M]+ 236.21347 152.6
[M]- 236.21457 152.6
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.