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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.