CID 177843213

Dtxsid001369340

Structural Information

Molecular Formula
C11H18O3
SMILES
CC/C=C\CCC(=O)CCCC(=O)O
InChI
InChI=1S/C11H18O3/c1-2-3-4-5-7-10(12)8-6-9-11(13)14/h3-4H,2,5-9H2,1H3,(H,13,14)/b4-3-
InChIKey
HKCWXXQZZKXAAR-ARJAWSKDSA-N
Compound name
(Z)-5-oxoundec-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 147.7
[M+Na]+ 221.114818 152.9
[M-H]- 197.118324 145.9
[M+NH4]+ 216.159423 166.2
[M+K]+ 237.088758 151.0
[M+H-H2O]+ 181.122860 142.6
[M+HCOO]- 243.123801 167.7
[M+CH3COO]- 257.139451 183.8
[M+Na-2H]- 219.100266 149.2
[M]+ 198.12505142 149.9
[M]- 198.12614858 149.9
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.