CID 84717345

3-azaspiro[5.5]undecan-9-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

C1CC2(CCC1O)CCNCC2

InChI

InChI=1S/C10H19NO/c12-9-1-3-10(4-2-9)5-7-11-8-6-10/h9,11-12H,1-8H2

InChIKey

DCUNNHBUNDXOHB-UHFFFAOYSA-N

Compound name

3-azaspiro[5.5]undecan-9-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 169.14667 Da
Monoisotopic Mass: 1.0
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]+	170.153946	141.4
[M+Na]+	192.135888	144.3
[M-H]-	168.139394	141.4
[M+NH4]+	187.180493	160.8
[M+K]+	208.109828	141.3
[M+H-H2O]+	152.143930	135.0
[M+HCOO]-	214.144871	154.2
[M+CH3COO]-	228.160521	171.5
[M+Na-2H]-	190.121336	146.0
[M]+	169.14612142	129.7
[M]-	169.14721858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe