CID 77078419

Bromo-peg5-alcohol

Structural Information

Molecular Formula
C10H21BrO5
SMILES
C(COCCOCCOCCOCCBr)O
InChI
InChI=1S/C10H21BrO5/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h12H,1-10H2
InChIKey
ZXJWAHSKDNOZCY-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

300.05725 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06453 160.3
[M+Na]+ 323.04647 168.3
[M-H]- 299.04997 160.8
[M+NH4]+ 318.09107 178.3
[M+K]+ 339.02041 158.6
[M+H-H2O]+ 283.05451 159.1
[M+HCOO]- 345.05545 179.7
[M+CH3COO]- 359.07110 196.0
[M+Na-2H]- 321.03192 165.7
[M]+ 300.05670 186.1
[M]- 300.05780 186.1
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