CID 31263

Propionic anhydride

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CCC(=O)OC(=O)CC

InChI

InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3

InChIKey

WYVAMUWZEOHJOQ-UHFFFAOYSA-N

Compound name

propanoyl propanoate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 69
References: 51862
Patents: 130.06299 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]+	131.070266	125.2
[M+Na]+	153.052208	132.7
[M-H]-	129.055714	125.8
[M+NH4]+	148.096813	147.4
[M+K]+	169.026148	133.7
[M+H-H2O]+	113.060250	120.9
[M+HCOO]-	175.061191	148.2
[M+CH3COO]-	189.076841	171.6
[M+Na-2H]-	151.037656	129.9
[M]+	130.06244142	128.0
[M]-	130.06353858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe