CID 534876

2-bromo-3-methylbut-2-en-1-ol

Structural Information

Molecular Formula
C5H9BrO
SMILES
CC(=C(CO)Br)C
InChI
InChI=1S/C5H9BrO/c1-4(2)5(6)3-7/h7H,3H2,1-2H3
InChIKey
MGCRAWYWIQETDF-UHFFFAOYSA-N
Compound name
2-bromo-3-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

163.98367 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 128.9
[M+Na]+ 186.972888 139.4
[M-H]- 162.976394 130.9
[M+NH4]+ 182.017493 152.3
[M+K]+ 202.946828 129.3
[M+H-H2O]+ 146.980930 130.1
[M+HCOO]- 208.981871 147.5
[M+CH3COO]- 222.997521 174.7
[M+Na-2H]- 184.958336 134.5
[M]+ 163.98312142 145.6
[M]- 163.98421858 145.6
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