CID 234583

1-butene,4-bromo-3-methoxy-

Structural Information

Molecular Formula
C5H9BrO
SMILES
COC(CBr)C=C
InChI
InChI=1S/C5H9BrO/c1-3-5(4-6)7-2/h3,5H,1,4H2,2H3
InChIKey
YWWYRKKSGUWARJ-UHFFFAOYSA-N
Compound name
4-bromo-3-methoxybut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.98367 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 126.8
[M+Na]+ 186.97289 138.0
[M-H]- 162.97639 130.1
[M+NH4]+ 182.01749 151.0
[M+K]+ 202.94683 128.6
[M+H-H2O]+ 146.98093 128.0
[M+HCOO]- 208.98187 147.9
[M+CH3COO]- 222.99752 177.1
[M+Na-2H]- 184.95834 134.4
[M]+ 163.98312 146.1
[M]- 163.98422 146.1
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

No patent data available for this compound.