CID 85158920

Lactapiperanol c

Structural Information

Molecular Formula
C16H26O4
SMILES
CC1(CC2C(C1)C3(CC34C(OCC4(C2O)O)OC)C)C
InChI
InChI=1S/C16H26O4/c1-13(2)5-9-10(6-13)14(3)7-15(14)12(19-4)20-8-16(15,18)11(9)17/h9-12,17-18H,5-8H2,1-4H3
InChIKey
DEBINYRQIQKNDF-UHFFFAOYSA-N
Compound name
13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.01,3.04,8]tridecane-9,10-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

282.1831 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19038 163.6
[M+Na]+ 305.17232 173.2
[M+NH4]+ 300.21692 178.0
[M+K]+ 321.14626 166.7
[M-H]- 281.17582 172.9
[M+Na-2H]- 303.15777 170.3
[M]+ 282.18255 169.4
[M]- 282.18365 169.4
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