CID 22603610

1909287-17-7

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

COCC1CC(CN1)O

InChI

InChI=1S/C6H13NO2/c1-9-4-5-2-6(8)3-7-5/h5-8H,2-4H2,1H3

InChIKey

XUEHQBMFCHRSRL-UHFFFAOYSA-N

Compound name

5-(methoxymethyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 131.09464 Da
Monoisotopic Mass: -0.8
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	128.1
[M+Na]+	154.08386	134.6
[M-H]-	130.08736	127.3
[M+NH4]+	149.12846	149.2
[M+K]+	170.05780	133.3
[M+H-H2O]+	114.09190	122.7
[M+HCOO]-	176.09284	147.5
[M+CH3COO]-	190.10849	165.6
[M+Na-2H]-	152.06931	131.8
[M]+	131.09409	124.7
[M]-	131.09519	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe