CID 23652017

Tensyuic acid d

Structural Information

Molecular Formula
C13H20O6
SMILES
COC(=O)CCCCCC(C(=C)C(=O)O)C(=O)OC
InChI
InChI=1S/C13H20O6/c1-9(12(15)16)10(13(17)19-3)7-5-4-6-8-11(14)18-2/h10H,1,4-8H2,2-3H3,(H,15,16)
InChIKey
UYOJPIPBTQKANX-UHFFFAOYSA-N
Compound name
9-methoxy-3-methoxycarbonyl-2-methylidene-9-oxononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.12598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13326 162.6
[M+Na]+ 295.11520 166.5
[M-H]- 271.11870 160.6
[M+NH4]+ 290.15980 177.7
[M+K]+ 311.08914 166.7
[M+H-H2O]+ 255.12324 157.0
[M+HCOO]- 317.12418 180.0
[M+CH3COO]- 331.13983 197.2
[M+Na-2H]- 293.10065 159.7
[M]+ 272.12543 167.3
[M]- 272.12653 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe