CID 77078163

Bromo-peg2-ch2co2tbu

Structural Information

Molecular Formula
C10H19BrO4
SMILES
CC(C)(C)OC(=O)COCCOCCBr
InChI
InChI=1S/C10H19BrO4/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h4-8H2,1-3H3
InChIKey
LEOVLGAAQMGPBM-UHFFFAOYSA-N
Compound name
tert-butyl 2-[2-(2-bromoethoxy)ethoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

282.04666 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.053936 158.4
[M+Na]+ 305.035878 167.9
[M-H]- 281.039384 161.0
[M+NH4]+ 300.080483 178.2
[M+K]+ 321.009818 158.7
[M+H-H2O]+ 265.043920 158.4
[M+HCOO]- 327.044861 177.0
[M+CH3COO]- 341.060511 195.7
[M+Na-2H]- 303.021326 163.9
[M]+ 282.04611142 182.9
[M]- 282.04720858 182.9
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

patents stripe