CID 452617

133342-48-0

Structural Information

Molecular Formula
C15H29NO4
SMILES
C1CCC(CC1)CCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O
InChI
InChI=1S/C15H29NO4/c17-10-12-14(19)15(20)13(18)9-16(12)8-4-7-11-5-2-1-3-6-11/h11-15,17-20H,1-10H2/t12-,13+,14-,15-/m1/s1
InChIKey
WAOKCSPMSBLULX-LXTVHRRPSA-N
Compound name
(2R,3R,4R,5S)-1-(3-cyclohexylpropyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

287.20966 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.21694 172.2
[M+Na]+ 310.19888 173.8
[M-H]- 286.20238 170.4
[M+NH4]+ 305.24348 183.6
[M+K]+ 326.17282 169.8
[M+H-H2O]+ 270.20692 165.0
[M+HCOO]- 332.20786 180.8
[M+CH3COO]- 346.22351 193.5
[M+Na-2H]- 308.18433 169.2
[M]+ 287.20911 163.6
[M]- 287.21021 163.6
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