CID 3073836

153175-82-7

Structural Information

Molecular Formula

C₁₆H₃₁NO₃

SMILES

CCN(CC)CCOC1CC2CC(C1(C)O)OC2(C)C

InChI

InChI=1S/C16H31NO3/c1-6-17(7-2)8-9-19-13-10-12-11-14(16(13,5)18)20-15(12,3)4/h12-14,18H,6-11H2,1-5H3

InChIKey

SORUQLFTRRYZRF-UHFFFAOYSA-N

Compound name

3-[2-(diethylamino)ethoxy]-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.2304 Da
Monoisotopic Mass: 1.5
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	168.7
[M+Na]+	308.219618	174.1
[M-H]-	284.223124	171.4
[M+NH4]+	303.264223	190.7
[M+K]+	324.193558	173.7
[M+H-H2O]+	268.227660	164.7
[M+HCOO]-	330.228601	184.9
[M+CH3COO]-	344.244251	207.0
[M+Na-2H]-	306.205066	171.9
[M]+	285.22985142	172.2
[M]-	285.23094858	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.