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 160.8
[M+Na]+ 289.21380 165.6
[M-H]- 265.21730 161.5
[M+NH4]+ 284.25840 174.4
[M+K]+ 305.18774 162.0
[M+H-H2O]+ 249.22184 148.0
[M+HCOO]- 311.22278 173.3
[M+CH3COO]- 325.23843 204.0
[M+Na-2H]- 287.19925 163.0
[M]+ 266.22403 156.9
[M]- 266.22513 156.9
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.