CID 201900

Cyclopentaneundecanoic acid, 2-hydroxy-

Structural Information

Molecular Formula
C16H30O3
SMILES
C1CC(C(C1)O)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C16H30O3/c17-15-12-9-11-14(15)10-7-5-3-1-2-4-6-8-13-16(18)19/h14-15,17H,1-13H2,(H,18,19)
InChIKey
NTKYJSIKKGQEFZ-UHFFFAOYSA-N
Compound name
11-(2-hydroxycyclopentyl)undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.21948 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.226756 171.6
[M+Na]+ 293.208698 173.8
[M-H]- 269.212204 170.5
[M+NH4]+ 288.253303 188.2
[M+K]+ 309.182638 170.3
[M+H-H2O]+ 253.216740 165.4
[M+HCOO]- 315.217681 188.3
[M+CH3COO]- 329.233331 195.2
[M+Na-2H]- 291.194146 168.9
[M]+ 270.21893142 171.4
[M]- 270.22002858 171.4
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.