CID 202646

13065-47-9

Structural Information

Molecular Formula
C16H28O3
SMILES
C1CC(C(=O)C1)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H28O3/c17-15-12-9-11-14(15)10-7-5-3-1-2-4-6-8-13-16(18)19/h14H,1-13H2,(H,18,19)
InChIKey
YKOYAVNSEZZQLZ-UHFFFAOYSA-N
Compound name
11-(2-oxocyclopentyl)undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.20386 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.21114 169.3
[M+Na]+ 291.19308 176.0
[M+NH4]+ 286.23768 175.0
[M+K]+ 307.16702 171.5
[M-H]- 267.19658 168.2
[M+Na-2H]- 289.17853 169.5
[M]+ 268.20331 169.4
[M]- 268.20441 169.4
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.