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]+ 267.231856 160.8
[M+Na]+ 289.213798 165.6
[M-H]- 265.217304 161.5
[M+NH4]+ 284.258403 174.4
[M+K]+ 305.187738 162.0
[M+H-H2O]+ 249.221840 148.0
[M+HCOO]- 311.222781 173.3
[M+CH3COO]- 325.238431 204.0
[M+Na-2H]- 287.199246 163.0
[M]+ 266.22403142 156.9
[M]- 266.22512858 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.