CID 201900

7086-58-0

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]+ 271.22676 171.6
[M+Na]+ 293.20870 173.8
[M-H]- 269.21220 170.5
[M+NH4]+ 288.25330 188.2
[M+K]+ 309.18264 170.3
[M+H-H2O]+ 253.21674 165.4
[M+HCOO]- 315.21768 188.3
[M+CH3COO]- 329.23333 195.2
[M+Na-2H]- 291.19415 168.9
[M]+ 270.21893 171.4
[M]- 270.22003 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.