CID 13941567

31950-55-7

Structural Information

Molecular Formula
C5H9Br
SMILES
CC(CBr)C=C
InChI
InChI=1S/C5H9Br/c1-3-5(2)4-6/h3,5H,1,4H2,2H3
InChIKey
IIRUREIGPQBHMF-UHFFFAOYSA-N
Compound name
4-bromo-3-methylbut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

147.98875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.996026 124.0
[M+Na]+ 170.977968 135.3
[M-H]- 146.981474 127.3
[M+NH4]+ 166.022573 148.9
[M+K]+ 186.951908 125.4
[M+H-H2O]+ 130.986010 125.4
[M+HCOO]- 192.986951 144.8
[M+CH3COO]- 207.002601 175.4
[M+Na-2H]- 168.963416 131.6
[M]+ 147.98820142 141.9
[M]- 147.98929858 141.9
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