CID 116741

2h-pyran, tetrahydro-2-(11-tetradecynyloxy)-

Structural Information

Molecular Formula
C19H34O2
SMILES
CCC#CCCCCCCCCCCOC1CCCCO1
InChI
InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h19H,2,5-18H2,1H3
InChIKey
QPBHDSXBIQFNFW-UHFFFAOYSA-N
Compound name
2-tetradec-11-ynoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

294.2559 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.26318 168.5
[M+Na]+ 317.24512 172.6
[M-H]- 293.24862 168.9
[M+NH4]+ 312.28972 181.1
[M+K]+ 333.21906 168.5
[M+H-H2O]+ 277.25316 155.4
[M+HCOO]- 339.25410 180.4
[M+CH3COO]- 353.26975 209.3
[M+Na-2H]- 315.23057 169.8
[M]+ 294.25535 165.3
[M]- 294.25645 165.3
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.