CID 2733439

4-pentenoic anhydride

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C=CCCC(=O)OC(=O)CCC=C

InChI

InChI=1S/C10H14O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-4H,1-2,5-8H2

InChIKey

NEDHQDYBHYNBIF-UHFFFAOYSA-N

Compound name

pent-4-enoyl pent-4-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 554
Patents: 182.0943 Da
Monoisotopic Mass: 2.0
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]+	183.101576	140.5
[M+Na]+	205.083518	147.0
[M-H]-	181.087024	140.5
[M+NH4]+	200.128123	160.5
[M+K]+	221.057458	145.7
[M+H-H2O]+	165.091560	135.6
[M+HCOO]-	227.092501	162.7
[M+CH3COO]-	241.108151	181.9
[M+Na-2H]-	203.068966	143.2
[M]+	182.09375142	143.5
[M]-	182.09484858	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe