CID 5282994

11-keto pentadecanoic acid

Structural Information

Molecular Formula
C15H28O3
SMILES
CCCCC(=O)CCCCCCCCCC(=O)O
InChI
InChI=1S/C15H28O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h2-13H2,1H3,(H,17,18)
InChIKey
UQTMRLUPIGBYIJ-UHFFFAOYSA-N
Compound name
11-oxopentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.20386 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.21114 167.6
[M+Na]+ 279.19308 170.7
[M-H]- 255.19658 164.9
[M+NH4]+ 274.23768 183.7
[M+K]+ 295.16702 168.3
[M+H-H2O]+ 239.20112 161.5
[M+HCOO]- 301.20206 186.0
[M+CH3COO]- 315.21771 197.4
[M+Na-2H]- 277.17853 166.8
[M]+ 256.20331 172.0
[M]- 256.20441 172.0
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.