CID 261184

487-27-4

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CN1C2CC3CC1C(C2O)O3

InChI

InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3

InChIKey

MEGPURSNXMUDAE-UHFFFAOYSA-N

Compound name

6-methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1184
Patents: 155.09464 Da
Monoisotopic Mass: -0.2
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]+	156.10192	130.0
[M+Na]+	178.08386	136.6
[M-H]-	154.08736	126.7
[M+NH4]+	173.12846	156.9
[M+K]+	194.05780	135.7
[M+H-H2O]+	138.09190	127.1
[M+HCOO]-	200.09284	140.8
[M+CH3COO]-	214.10849	142.1
[M+Na-2H]-	176.06931	137.8
[M]+	155.09409	133.8
[M]-	155.09519	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe