CID 66193

Butane-2,3-diyl diacetate

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC(C(C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C8H14O4/c1-5(11-7(3)9)6(2)12-8(4)10/h5-6H,1-4H3

InChIKey

VVSAAKSQXNXBML-UHFFFAOYSA-N

Compound name

3-acetyloxybutan-2-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 102
Patents: 174.0892 Da
Monoisotopic Mass: 0.9
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]+	175.09648	137.9
[M+Na]+	197.07842	145.9
[M+NH4]+	192.12302	143.6
[M+K]+	213.05236	143.7
[M-H]-	173.08192	135.0
[M+Na-2H]-	195.06387	139.0
[M]+	174.08865	137.7
[M]-	174.08975	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe