CID 325104

63478-84-2

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

C1CCC2(CC1)NC(CO2)(CO)CO

InChI

InChI=1S/C10H19NO3/c12-6-9(7-13)8-14-10(11-9)4-2-1-3-5-10/h11-13H,1-8H2

InChIKey

KAEFUAJBLZQMTF-UHFFFAOYSA-N

Compound name

[3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 19
Patents: 201.13649 Da
Monoisotopic Mass: -0.3
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]+	202.143766	146.5
[M+Na]+	224.125708	151.0
[M-H]-	200.129214	146.5
[M+NH4]+	219.170313	166.5
[M+K]+	240.099648	149.1
[M+H-H2O]+	184.133750	141.5
[M+HCOO]-	246.134691	159.5
[M+CH3COO]-	260.150341	172.6
[M+Na-2H]-	222.111156	151.6
[M]+	201.13594142	139.2
[M]-	201.13703858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe