CID 71471123

1408284-92-3

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

C1C2(CN1CCCO)COC2

InChI

InChI=1S/C8H15NO2/c10-3-1-2-9-4-8(5-9)6-11-7-8/h10H,1-7H2

InChIKey

JYYHKBPNSACULF-UHFFFAOYSA-N

Compound name

3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 157.11028 Da
Monoisotopic Mass: -0.5
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]+	158.11756	122.8
[M+Na]+	180.09950	126.7
[M-H]-	156.10300	126.1
[M+NH4]+	175.14410	129.5
[M+K]+	196.07344	132.4
[M+H-H2O]+	140.10754	109.4
[M+HCOO]-	202.10848	138.6
[M+CH3COO]-	216.12413	186.6
[M+Na-2H]-	178.08495	130.5
[M]+	157.10973	138.6
[M]-	157.11083	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe