CID 42608150

Lmpr0103340001

Structural Information

Molecular Formula
C15H20O4
SMILES
C[C@@H]1CC[C@]2(C(=C)C(=O)OC23C14C(O4)C(C3)(C)C)O
InChI
InChI=1S/C15H20O4/c1-8-5-6-13(17)9(2)10(16)18-14(13)7-12(3,4)11-15(8,14)19-11/h8,11,17H,2,5-7H2,1,3-4H3/t8-,11?,13-,14?,15?/m1/s1
InChIKey
VLJBPLOIFLPLAP-UNNNSSBPSA-N
Compound name
(5R,8R)-5-hydroxy-8,12,12-trimethyl-4-methylidene-2,10-dioxatetracyclo[7.4.0.01,5.09,11]tridecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 152.3
[M+Na]+ 287.12539 164.0
[M-H]- 263.12889 160.7
[M+NH4]+ 282.16999 174.4
[M+K]+ 303.09933 163.3
[M+H-H2O]+ 247.13343 151.7
[M+HCOO]- 309.13437 164.1
[M+CH3COO]- 323.15002 165.5
[M+Na-2H]- 285.11084 158.5
[M]+ 264.13562 157.8
[M]- 264.13672 157.8
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.