CID 139343385

2366180-41-6

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

C1C(OC2(CN1)COC2)CO

InChI

InChI=1S/C7H13NO3/c9-2-6-1-8-3-7(11-6)4-10-5-7/h6,8-9H,1-5H2

InChIKey

BTRQGJGGAYKPFW-UHFFFAOYSA-N

Compound name

2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 159.08954 Da
Monoisotopic Mass: -1.7
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]+	160.096816	126.5
[M+Na]+	182.078758	130.6
[M-H]-	158.082264	128.8
[M+NH4]+	177.123363	137.6
[M+K]+	198.052698	134.6
[M+H-H2O]+	142.086800	116.3
[M+HCOO]-	204.087741	140.4
[M+CH3COO]-	218.103391	172.0
[M+Na-2H]-	180.064206	135.2
[M]+	159.08899142	130.8
[M]-	159.09008858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe