CID 138395755

Dtxsid90884210

Structural Information

Molecular Formula
C16H26O
SMILES
C[C@]12CCCC([C@@H]3[C@H]1CC[C@@H]3C2=CCO)(C)C
InChI
InChI=1S/C16H26O/c1-15(2)8-4-9-16(3)12(7-10-17)11-5-6-13(16)14(11)15/h7,11,13-14,17H,4-6,8-10H2,1-3H3/t11-,13-,14+,16-/m1/s1
InChIKey
XUMDBSUTEGMQRC-OEYIWLLWSA-N
Compound name
2-[(1R,2R,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 159.1
[M+Na]+ 257.187578 164.7
[M-H]- 233.191084 162.9
[M+NH4]+ 252.232183 184.7
[M+K]+ 273.161518 160.5
[M+H-H2O]+ 217.195620 155.7
[M+HCOO]- 279.196561 173.9
[M+CH3COO]- 293.212211 169.9
[M+Na-2H]- 255.173026 159.6
[M]+ 234.19781142 153.6
[M]- 234.19890858 153.6
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.