CID 550996

1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC(=O)N1CCCC1CO

InChI

InChI=1S/C7H13NO2/c1-6(10)8-4-2-3-7(8)5-9/h7,9H,2-5H2,1H3

InChIKey

VQNVOVAHJAHGQP-UHFFFAOYSA-N

Compound name

1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 190
Patents: 143.09464 Da
Monoisotopic Mass: -0.4
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	131.4
[M+Na]+	166.08386	138.0
[M-H]-	142.08736	132.0
[M+NH4]+	161.12846	152.7
[M+K]+	182.05780	137.2
[M+H-H2O]+	126.09190	125.8
[M+HCOO]-	188.09284	151.2
[M+CH3COO]-	202.10849	170.5
[M+Na-2H]-	164.06931	133.8
[M]+	143.09409	128.8
[M]-	143.09519	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe