CID 12874032

78327-51-2

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC1(CC(=O)N1)CCO

InChI

InChI=1S/C6H11NO2/c1-6(2-3-8)4-5(9)7-6/h8H,2-4H2,1H3,(H,7,9)

InChIKey

GANLLNYSHYQPFP-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)-4-methylazetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	130.086256	127.1
[M+Na]+	152.068198	133.7
[M-H]-	128.071704	127.0
[M+NH4]+	147.112803	142.1
[M+K]+	168.042138	135.0
[M+H-H2O]+	112.076240	118.2
[M+HCOO]-	174.077181	145.5
[M+CH3COO]-	188.092831	170.0
[M+Na-2H]-	150.053646	133.2
[M]+	129.07843142	133.7
[M]-	129.07952858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe