CID 3073290

147993-15-5

Structural Information

Molecular Formula

C₁₆H₃₁NO₃

SMILES

CC1C2CC(CC1(CC(CNC(C)C)O)O)C(O2)(C)C

InChI

InChI=1S/C16H31NO3/c1-10(2)17-9-13(18)8-16(19)7-12-6-14(11(16)3)20-15(12,4)5/h10-14,17-19H,6-9H2,1-5H3

InChIKey

QXYQCIOEXXLWII-UHFFFAOYSA-N

Compound name

3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.2304 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.237676	170.7
[M+Na]+	308.219618	175.2
[M-H]-	284.223124	170.7
[M+NH4]+	303.264223	191.3
[M+K]+	324.193558	173.6
[M+H-H2O]+	268.227660	167.7
[M+HCOO]-	330.228601	182.8
[M+CH3COO]-	344.244251	203.3
[M+Na-2H]-	306.205066	171.9
[M]+	285.22985142	170.0
[M]-	285.23094858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.