CID 53411762

1053656-74-8

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 160.0
[M+Na]+ 291.15667 165.0
[M-H]- 267.16017 159.7
[M+NH4]+ 286.20127 172.5
[M+K]+ 307.13061 162.0
[M+H-H2O]+ 251.16471 147.4
[M+HCOO]- 313.16565 171.2
[M+CH3COO]- 327.18130 199.9
[M+Na-2H]- 289.14212 161.4
[M]+ 268.16690 155.0
[M]- 268.16800 155.0
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.