CID 5312883

5-oxo-7e-decenoic acid

Structural Information

Molecular Formula
C10H16O3
SMILES
CC/C=C/CC(=O)CCCC(=O)O
InChI
InChI=1S/C10H16O3/c1-2-3-4-6-9(11)7-5-8-10(12)13/h3-4H,2,5-8H2,1H3,(H,12,13)/b4-3+
InChIKey
XDXKSZVTGHYJAD-ONEGZZNKSA-N
Compound name
(E)-5-oxodec-7-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 143.1
[M+Na]+ 207.09916 148.7
[M-H]- 183.10266 141.5
[M+NH4]+ 202.14376 162.2
[M+K]+ 223.07310 147.0
[M+H-H2O]+ 167.10720 138.2
[M+HCOO]- 229.10814 163.4
[M+CH3COO]- 243.12379 180.8
[M+Na-2H]- 205.08461 145.1
[M]+ 184.10939 144.9
[M]- 184.11049 144.9
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.