CID 7302

Gamma-butyrolactone

Structural Information

Molecular Formula

C₄H₆O₂

SMILES

C1CC(=O)OC1

InChI

InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2

InChIKey

YEJRWHAVMIAJKC-UHFFFAOYSA-N

Compound name

oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 4976
References: 35855
Patents: 86.03678 Da
Monoisotopic Mass: -0.6
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]+	87.044056	113.2
[M+Na]+	109.02600	123.8
[M+NH4]+	104.07060	122.3
[M+K]+	124.99994	120.8
[M-H]-	85.029504	115.6
[M+Na-2H]-	107.01145	118.1
[M]+	86.036231	115.2
[M]-	86.037329	115.2

Literature stripe

literature stripe

Patent stripe

patents stripe