CID 53412231

957761-18-1

Structural Information

Molecular Formula
C14H22O4
SMILES
C1CCOC(C1)OCC#CCCCCCC(=O)O
InChI
InChI=1S/C14H22O4/c15-13(16)9-5-3-1-2-4-7-11-17-14-10-6-8-12-18-14/h14H,1-3,5-6,8-12H2,(H,15,16)
InChIKey
BNWVOWGHORIPKA-UHFFFAOYSA-N
Compound name
9-(oxan-2-yloxy)non-7-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15181 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.159086 156.1
[M+Na]+ 277.141028 161.4
[M-H]- 253.144534 156.0
[M+NH4]+ 272.185633 169.1
[M+K]+ 293.114968 158.7
[M+H-H2O]+ 237.149070 143.7
[M+HCOO]- 299.150011 167.6
[M+CH3COO]- 313.165661 197.2
[M+Na-2H]- 275.126476 158.0
[M]+ 254.15126142 150.8
[M]- 254.15235858 150.8
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.