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]+ 199.13288 147.7
[M+Na]+ 221.11482 152.9
[M-H]- 197.11832 145.9
[M+NH4]+ 216.15942 166.2
[M+K]+ 237.08876 151.0
[M+H-H2O]+ 181.12286 142.6
[M+HCOO]- 243.12380 167.7
[M+CH3COO]- 257.13945 183.8
[M+Na-2H]- 219.10027 149.2
[M]+ 198.12505 149.9
[M]- 198.12615 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.