CID 116742

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

Structural Information

Molecular Formula
C17H30O2
SMILES
C#CCCCCCCCCCCOC1CCCCO1
InChI
InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h1,17H,3-16H2
InChIKey
OFKZWVVQWWNQOU-UHFFFAOYSA-N
Compound name
2-dodec-11-ynoxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

266.22458 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.231856 160.1
[M+Na]+ 289.213798 164.8
[M-H]- 265.217304 160.7
[M+NH4]+ 284.258403 173.5
[M+K]+ 305.187738 161.2
[M+H-H2O]+ 249.221840 147.2
[M+HCOO]- 311.222781 172.5
[M+CH3COO]- 325.238431 205.1
[M+Na-2H]- 287.199246 162.3
[M]+ 266.22403142 156.3
[M]- 266.22512858 156.3
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

patents stripe