CID 137935704

2253639-28-8

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1C(COC1CN)CO

InChI

InChI=1S/C6H13NO2/c7-2-6-1-5(3-8)4-9-6/h5-6,8H,1-4,7H2

InChIKey

ZNXZDGNIRKHXGX-UHFFFAOYSA-N

Compound name

[5-(aminomethyl)oxolan-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 131.09464 Da
Monoisotopic Mass: -1.1
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]+	132.10192	127.3
[M+Na]+	154.08386	133.3
[M-H]-	130.08736	129.3
[M+NH4]+	149.12846	148.4
[M+K]+	170.05780	133.2
[M+H-H2O]+	114.09190	122.3
[M+HCOO]-	176.09284	148.9
[M+CH3COO]-	190.10849	169.7
[M+Na-2H]-	152.06931	131.8
[M]+	131.09409	124.0
[M]-	131.09519	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.