CID 59615995

Bromo-peg3-t-butyl ester

Structural Information

Molecular Formula
C13H25BrO5
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCBr
InChI
InChI=1S/C13H25BrO5/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h4-11H2,1-3H3
InChIKey
ISAHSVMMFPHXFG-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

340.08853 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09581 173.7
[M+Na]+ 363.07775 172.2
[M+NH4]+ 358.12235 175.0
[M+K]+ 379.05169 173.6
[M-H]- 339.08125 169.4
[M+Na-2H]- 361.06320 171.3
[M]+ 340.08798 170.8
[M]- 340.08908 170.8
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