CID 6602254

64911-93-9

Structural Information

Molecular Formula
C16H27NO4
SMILES
CC1[C@@H]2C[C@@H]([C@@]3([C@H]2[C@@H](O[C@H]1O3)OC)CN4CCCCC4)O
InChI
InChI=1S/C16H27NO4/c1-10-11-8-12(18)16(9-17-6-4-3-5-7-17)13(11)15(19-2)20-14(10)21-16/h10-15,18H,3-9H2,1-2H3/t10?,11-,12-,13+,14-,15+,16+/m0/s1
InChIKey
KZSHXABWNBVUTK-BQOLVEFRSA-N
Compound name
(1R,3R,4S,6S,7S,8R)-8-methoxy-10-methyl-3-(piperidin-1-ylmethyl)-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.194 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20128 164.5
[M+Na]+ 320.18322 167.1
[M-H]- 296.18672 164.1
[M+NH4]+ 315.22782 183.3
[M+K]+ 336.15716 166.3
[M+H-H2O]+ 280.19126 157.5
[M+HCOO]- 342.19220 167.6
[M+CH3COO]- 356.20785 172.6
[M+Na-2H]- 318.16867 169.4
[M]+ 297.19345 164.8
[M]- 297.19455 164.8
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.