CID 69606

10-oxoundecanoic acid

Structural Information

Molecular Formula
C11H20O3
SMILES
CC(=O)CCCCCCCCC(=O)O
InChI
InChI=1S/C11H20O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-9H2,1H3,(H,13,14)
InChIKey
UKHMENMPHVRROO-UHFFFAOYSA-N
Compound name
10-oxoundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

200.14125 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 149.2
[M+Na]+ 223.13047 154.0
[M-H]- 199.13397 147.3
[M+NH4]+ 218.17507 167.6
[M+K]+ 239.10441 152.7
[M+H-H2O]+ 183.13851 144.0
[M+HCOO]- 245.13945 169.0
[M+CH3COO]- 259.15510 185.4
[M+Na-2H]- 221.11592 150.6
[M]+ 200.14070 152.1
[M]- 200.14180 152.1
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