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

68
Patents

147.98875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99603 124.0
[M+Na]+ 170.97797 135.3
[M-H]- 146.98147 127.3
[M+NH4]+ 166.02257 148.9
[M+K]+ 186.95191 125.4
[M+H-H2O]+ 130.98601 125.4
[M+HCOO]- 192.98695 144.8
[M+CH3COO]- 207.00260 175.4
[M+Na-2H]- 168.96342 131.6
[M]+ 147.98820 141.9
[M]- 147.98930 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