CID 3084948

2h-pyran, 2-(9-dodecynyloxy)tetrahydro-

Structural Information

Molecular Formula
C17H30O2
SMILES
CCC#CCCCCCCCCO[C@@H]1CCCCO1
InChI
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h17H,2,5-16H2,1H3/t17-/m0/s1
InChIKey
NMVNIBLRAWKODI-KRWDZBQOSA-N
Compound name
(2R)-2-dodec-9-ynoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 167.6
[M+Na]+ 289.21380 176.9
[M+NH4]+ 284.25840 171.5
[M+K]+ 305.18774 166.2
[M-H]- 265.21730 162.1
[M+Na-2H]- 287.19925 167.5
[M]+ 266.22403 166.5
[M]- 266.22513 166.5
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.