CID 103543

10-bromodecyl tetrahydropyranyl ether

Structural Information

Molecular Formula
C15H29BrO2
SMILES
C1CCOC(C1)OCCCCCCCCCCBr
InChI
InChI=1S/C15H29BrO2/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h15H,1-14H2
InChIKey
CRFTXRBAGSTOLW-UHFFFAOYSA-N
Compound name
2-(10-bromodecoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

320.1351 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14238 176.0
[M+Na]+ 343.12432 181.1
[M-H]- 319.12782 180.2
[M+NH4]+ 338.16892 192.5
[M+K]+ 359.09826 171.0
[M+H-H2O]+ 303.13236 174.6
[M+HCOO]- 365.13330 191.3
[M+CH3COO]- 379.14895 203.5
[M+Na-2H]- 341.10977 179.5
[M]+ 320.13455 195.6
[M]- 320.13565 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe