CID 21119328

(-)-culmorin

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@@]12CCCC([C@H]3[C@@H]1[C@@H](C[C@@]2([C@@H]3O)C)O)(C)C
InChI
InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12-,14-,15-/m1/s1
InChIKey
VWMGBHVRRNKOAE-ZLSAFIHNSA-N
Compound name
(1S,2R,7R,8R,9S,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

37
Patents

238.19328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 156.6
[M+Na]+ 261.18250 163.6
[M-H]- 237.18600 159.8
[M+NH4]+ 256.22710 183.4
[M+K]+ 277.15644 159.7
[M+H-H2O]+ 221.19054 154.2
[M+HCOO]- 283.19148 170.1
[M+CH3COO]- 297.20713 167.8
[M+Na-2H]- 259.16795 158.3
[M]+ 238.19273 152.1
[M]- 238.19383 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe