CID 131411742

2375268-58-7

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1C(OCC12CNC2)CO

InChI

InChI=1S/C7H13NO2/c9-2-6-1-7(5-10-6)3-8-4-7/h6,8-9H,1-5H2

InChIKey

XLXCMRQERLSUBN-UHFFFAOYSA-N

Compound name

6-oxa-2-azaspiro[3.4]octan-7-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.09464 Da
Monoisotopic Mass: -0.9
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]+	144.10192	124.9
[M+Na]+	166.08386	129.9
[M-H]-	142.08736	127.0
[M+NH4]+	161.12846	139.8
[M+K]+	182.05780	131.9
[M+H-H2O]+	126.09190	115.7
[M+HCOO]-	188.09284	141.6
[M+CH3COO]-	202.10849	169.4
[M+Na-2H]-	164.06931	131.3
[M]+	143.09409	129.2
[M]-	143.09519	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.