CID 3040251

Brn 5535387

Structural Information

Molecular Formula
C16H26O3
SMILES
C1CC(=O)C(=C1)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H26O3/c17-15-12-9-11-14(15)10-7-5-3-1-2-4-6-8-13-16(18)19/h11H,1-10,12-13H2,(H,18,19)
InChIKey
UICMEIADIIPNHJ-UHFFFAOYSA-N
Compound name
11-(5-oxocyclopenten-1-yl)undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1882 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.195476 168.1
[M+Na]+ 289.177418 172.0
[M-H]- 265.180924 168.9
[M+NH4]+ 284.222023 185.6
[M+K]+ 305.151358 168.6
[M+H-H2O]+ 249.185460 161.7
[M+HCOO]- 311.186401 188.0
[M+CH3COO]- 325.202051 196.5
[M+Na-2H]- 287.162866 166.9
[M]+ 266.18765142 170.5
[M]- 266.18874858 170.5
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.