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: 31
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]+	132.101916	128.1
[M+Na]+	154.083858	134.6
[M-H]-	130.087364	127.3
[M+NH4]+	149.128463	149.2
[M+K]+	170.057798	133.3
[M+H-H2O]+	114.091900	122.7
[M+HCOO]-	176.092841	147.5
[M+CH3COO]-	190.108491	165.6
[M+Na-2H]-	152.069306	131.8
[M]+	131.09409142	124.7
[M]-	131.09518858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe