CID 3830823

2-(2-bromoethoxy)propane

Structural Information

Molecular Formula
C5H11BrO
SMILES
CC(C)OCCBr
InChI
InChI=1S/C5H11BrO/c1-5(2)7-4-3-6/h5H,3-4H2,1-2H3
InChIKey
KYKUZTBLYLKPIT-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

165.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.006606 128.7
[M+Na]+ 188.988548 139.6
[M-H]- 164.992054 132.0
[M+NH4]+ 184.033153 152.9
[M+K]+ 204.962488 130.7
[M+H-H2O]+ 148.996590 129.7
[M+HCOO]- 210.997531 149.6
[M+CH3COO]- 225.013181 178.0
[M+Na-2H]- 186.973996 136.1
[M]+ 165.99878142 148.7
[M]- 165.99987858 148.7
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