CID 54381305

1133-00-2

Structural Information

Molecular Formula

C₁₂H₂₃NO

SMILES

C1CCC2(CC1)CCN(CC2)CCO

InChI

InChI=1S/C12H23NO/c14-11-10-13-8-6-12(7-9-13)4-2-1-3-5-12/h14H,1-11H2

InChIKey

VACBAZWHUAEDHW-UHFFFAOYSA-N

Compound name

2-(3-azaspiro[5.5]undecan-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 197.17796 Da
Monoisotopic Mass: 2.7
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]+	198.18524	149.5
[M+Na]+	220.16718	151.9
[M-H]-	196.17068	150.5
[M+NH4]+	215.21178	168.5
[M+K]+	236.14112	149.4
[M+H-H2O]+	180.17522	142.4
[M+HCOO]-	242.17616	163.2
[M+CH3COO]-	256.19181	180.1
[M+Na-2H]-	218.15263	153.5
[M]+	197.17741	140.3
[M]-	197.17851	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe