CID 2734184

1-(2-bromoethoxy)propane

Structural Information

Molecular Formula
C5H11BrO
SMILES
CCCOCCBr
InChI
InChI=1S/C5H11BrO/c1-2-4-7-5-3-6/h2-5H2,1H3
InChIKey
BQYZDMNAARQHKR-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

165.99933 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.006606 127.9
[M+Na]+ 188.988548 139.0
[M-H]- 164.992054 131.1
[M+NH4]+ 184.033153 152.2
[M+K]+ 204.962488 129.8
[M+H-H2O]+ 148.996590 128.9
[M+HCOO]- 210.997531 149.7
[M+CH3COO]- 225.013181 177.3
[M+Na-2H]- 186.973996 136.6
[M]+ 165.99878142 148.5
[M]- 165.99987858 148.5
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