CID 10197700

23123-19-5

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(=O)N1CCC(C1)O

InChI

InChI=1S/C6H11NO2/c1-5(8)7-3-2-6(9)4-7/h6,9H,2-4H2,1H3

InChIKey

ODHQVFPGHQBQSY-UHFFFAOYSA-N

Compound name

1-(3-hydroxypyrrolidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 401
Patents: 129.07898 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]+	130.08626	126.7
[M+Na]+	152.06820	133.8
[M-H]-	128.07170	127.6
[M+NH4]+	147.11280	148.6
[M+K]+	168.04214	133.3
[M+H-H2O]+	112.07624	121.4
[M+HCOO]-	174.07718	146.9
[M+CH3COO]-	188.09283	167.5
[M+Na-2H]-	150.05365	129.7
[M]+	129.07843	123.8
[M]-	129.07953	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe