CID 67974985

26096-35-5

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1C2(CN1CCO)COC2

InChI

InChI=1S/C7H13NO2/c9-2-1-8-3-7(4-8)5-10-6-7/h9H,1-6H2

InChIKey

BYZTUEFZDFUKGN-UHFFFAOYSA-N

Compound name

2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 143.09464 Da
Monoisotopic Mass: -0.9
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]+	144.10192	118.3
[M+Na]+	166.08386	122.7
[M-H]-	142.08736	121.8
[M+NH4]+	161.12846	125.6
[M+K]+	182.05780	128.6
[M+H-H2O]+	126.09190	105.2
[M+HCOO]-	188.09284	134.5
[M+CH3COO]-	202.10849	183.9
[M+Na-2H]-	164.06931	126.6
[M]+	143.09409	133.9
[M]-	143.09519	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe