CID 12927524

4-bromo-1-methoxy-2-methylbut-2-ene

Structural Information

Molecular Formula
C6H11BrO
SMILES
C/C(=C\CBr)/COC
InChI
InChI=1S/C6H11BrO/c1-6(3-4-7)5-8-2/h3H,4-5H2,1-2H3/b6-3+
InChIKey
PHXDBUGDYRATAD-ZZXKWVIFSA-N
Compound name
(E)-4-bromo-1-methoxy-2-methylbut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 131.7
[M+Na]+ 200.98855 142.6
[M-H]- 176.99205 134.8
[M+NH4]+ 196.03315 155.5
[M+K]+ 216.96249 132.8
[M+H-H2O]+ 160.99659 132.6
[M+HCOO]- 222.99753 152.4
[M+CH3COO]- 237.01318 179.3
[M+Na-2H]- 198.97400 138.6
[M]+ 177.99878 151.3
[M]- 177.99988 151.3
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.