CID 91809458

Propargyl-peg4-bromide

Structural Information

Molecular Formula

C₁₁H₁₉BrO₄

SMILES

C#CCOCCOCCOCCOCCBr

InChI

InChI=1S/C11H19BrO4/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1H,3-11H2

InChIKey

BITLDNUKJCDASJ-UHFFFAOYSA-N

Compound name

3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]prop-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 294.04666 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.053936	147.9
[M+Na]+	317.035878	159.0
[M-H]-	293.039384	148.3
[M+NH4]+	312.080483	165.1
[M+K]+	333.009818	148.9
[M+H-H2O]+	277.043920	141.4
[M+HCOO]-	339.044861	165.8
[M+CH3COO]-	353.060511	204.2
[M+Na-2H]-	315.021326	153.7
[M]+	294.04611142	166.6
[M]-	294.04720858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe