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]+ 179.006606 131.7
[M+Na]+ 200.988548 142.6
[M-H]- 176.992054 134.8
[M+NH4]+ 196.033153 155.5
[M+K]+ 216.962488 132.8
[M+H-H2O]+ 160.996590 132.6
[M+HCOO]- 222.997531 152.4
[M+CH3COO]- 237.013181 179.3
[M+Na-2H]- 198.973996 138.6
[M]+ 177.99878142 151.3
[M]- 177.99987858 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.