CID 12189

2-butenoic acid, 1,1'-anhydride

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

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

InChI

InChI=1S/C8H10O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H,1-2H3

InChIKey

VJDDQSBNUHLBTD-UHFFFAOYSA-N

Compound name

but-2-enoyl but-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 6290
Patents: 154.06299 Da
Monoisotopic Mass: 1.5
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]+	155.07027	131.5
[M+Na]+	177.05221	139.0
[M-H]-	153.05571	131.9
[M+NH4]+	172.09681	152.8
[M+K]+	193.02615	138.2
[M+H-H2O]+	137.06025	127.1
[M+HCOO]-	199.06119	154.4
[M+CH3COO]-	213.07684	174.5
[M+Na-2H]-	175.03766	135.3
[M]+	154.06244	133.6
[M]-	154.06354	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe