CID 118164

1-bromo-3-(1-ethoxyethoxy)propane

Structural Information

Molecular Formula
C7H15BrO2
SMILES
CCOC(C)OCCCBr
InChI
InChI=1S/C7H15BrO2/c1-3-9-7(2)10-6-4-5-8/h7H,3-6H2,1-2H3
InChIKey
OGVSYCZHGUMILG-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-ethoxyethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

210.02554 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03282 140.7
[M+Na]+ 233.01476 150.7
[M-H]- 209.01826 143.5
[M+NH4]+ 228.05936 163.2
[M+K]+ 248.98870 141.7
[M+H-H2O]+ 193.02280 141.0
[M+HCOO]- 255.02374 161.1
[M+CH3COO]- 269.03939 185.4
[M+Na-2H]- 231.00021 147.0
[M]+ 210.02499 162.7
[M]- 210.02609 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe