CID 53411762

10-(2-tetrahydropyranyloxy)-8-decynoic acid

Structural Information

Molecular Formula
C15H24O4
SMILES
C1CCOC(C1)OCC#CCCCCCCC(=O)O
InChI
InChI=1S/C15H24O4/c16-14(17)10-6-4-2-1-3-5-8-12-18-15-11-7-9-13-19-15/h15H,1-4,6-7,9-13H2,(H,16,17)
InChIKey
DJSRWOJODMLFNR-UHFFFAOYSA-N
Compound name
10-(oxan-2-yloxy)dec-8-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.16745 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 164.9
[M+Na]+ 291.15667 172.9
[M+NH4]+ 286.20127 167.3
[M+K]+ 307.13061 164.4
[M-H]- 267.16017 157.6
[M+Na-2H]- 289.14212 163.5
[M]+ 268.16690 162.8
[M]- 268.16800 162.8
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.