CID 520467

2-bromo-3-methyl-2-butene

Structural Information

Molecular Formula
C5H9Br
SMILES
CC(=C(C)Br)C
InChI
InChI=1S/C5H9Br/c1-4(2)5(3)6/h1-3H3
InChIKey
DBELOSOZLGEZBM-UHFFFAOYSA-N
Compound name
2-bromo-3-methylbut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

147.98875 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.996026 124.6
[M+Na]+ 170.977968 135.7
[M-H]- 146.981474 128.1
[M+NH4]+ 166.022573 149.5
[M+K]+ 186.951908 126.2
[M+H-H2O]+ 130.986010 126.0
[M+HCOO]- 192.986951 144.5
[M+CH3COO]- 207.002601 175.5
[M+Na-2H]- 168.963416 131.0
[M]+ 147.98820142 141.8
[M]- 147.98929858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe