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
1
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]+ 235.20564 159.1
[M+Na]+ 257.18758 164.7
[M-H]- 233.19108 162.9
[M+NH4]+ 252.23218 184.7
[M+K]+ 273.16152 160.5
[M+H-H2O]+ 217.19562 155.7
[M+HCOO]- 279.19656 173.9
[M+CH3COO]- 293.21221 169.9
[M+Na-2H]- 255.17303 159.6
[M]+ 234.19781 153.6
[M]- 234.19891 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.