CID 23652019

Tensyuic acid f

Structural Information

Molecular Formula

C₁₁H₁₆O₆

SMILES

CCOC(=O)CCCC(C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C11H16O6/c1-3-17-9(12)6-4-5-8(11(15)16)7(2)10(13)14/h8H,2-6H2,1H3,(H,13,14)(H,15,16)

InChIKey

DFYGVGBRRIMUSH-UHFFFAOYSA-N

Compound name

2-(4-ethoxy-4-oxobutyl)-3-methylidenebutanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.09468 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]+	245.10196	154.0
[M+Na]+	267.08390	158.2
[M-H]-	243.08740	150.9
[M+NH4]+	262.12850	169.3
[M+K]+	283.05784	157.9
[M+H-H2O]+	227.09194	148.8
[M+HCOO]-	289.09288	170.4
[M+CH3COO]-	303.10853	189.6
[M+Na-2H]-	265.06935	151.5
[M]+	244.09413	156.0
[M]-	244.09523	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe