CID 86189297

203740-63-0

Structural Information

Molecular Formula
C9H15BrO3
SMILES
C#CCOCCOCCOCCBr
InChI
InChI=1S/C9H15BrO3/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1H,3-9H2
InChIKey
UIGSOGCOFXYRNE-UHFFFAOYSA-N
Compound name
3-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]prop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

250.02046 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02774 138.6
[M+Na]+ 273.00968 150.5
[M-H]- 249.01318 139.4
[M+NH4]+ 268.05428 157.4
[M+K]+ 288.98362 140.5
[M+H-H2O]+ 233.01772 132.6
[M+HCOO]- 295.01866 156.8
[M+CH3COO]- 309.03431 197.7
[M+Na-2H]- 270.99513 145.2
[M]+ 250.01991 155.5
[M]- 250.02101 155.5
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

No patent data available for this compound.