CID 523983

1-bromo-2-methoxybutane

Structural Information

Molecular Formula
C5H11BrO
SMILES
CCC(CBr)OC
InChI
InChI=1S/C5H11BrO/c1-3-5(4-6)7-2/h5H,3-4H2,1-2H3
InChIKey
ZDWMGSKUKFNYCX-UHFFFAOYSA-N
Compound name
1-bromo-2-methoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

165.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.00661 127.9
[M+Na]+ 188.98855 129.7
[M+NH4]+ 184.03315 132.9
[M+K]+ 204.96249 130.2
[M-H]- 164.99205 126.6
[M+Na-2H]- 186.97400 129.5
[M]+ 165.99878 126.5
[M]- 165.99988 126.5
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

patents stripe