CID 23651872

Tensyuic acid a

Structural Information

Molecular Formula

C₁₁H₁₆O₆

SMILES

COC(=O)CCCC(C(=C)C(=O)O)C(=O)OC

InChI

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

InChIKey

MDFIHAYHEBXNCC-UHFFFAOYSA-N

Compound name

7-methoxy-3-methoxycarbonyl-2-methylidene-7-oxoheptanoic 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	153.2
[M+Na]+	267.08390	158.0
[M-H]-	243.08740	151.6
[M+NH4]+	262.12850	169.5
[M+K]+	283.05784	158.6
[M+H-H2O]+	227.09194	148.0
[M+HCOO]-	289.09288	171.3
[M+CH3COO]-	303.10853	191.3
[M+Na-2H]-	265.06935	151.4
[M]+	244.09413	157.1
[M]-	244.09523	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe