CID 70092

870-63-3

Structural Information

Molecular Formula
C5H9Br
SMILES
CC(=CCBr)C
InChI
InChI=1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3
InChIKey
LOYZVRIHVZEDMW-UHFFFAOYSA-N
Compound name
1-bromo-3-methylbut-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

6413
Patents

147.98875 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99603 124.1
[M+Na]+ 170.97797 135.5
[M-H]- 146.98147 127.5
[M+NH4]+ 166.02257 149.1
[M+K]+ 186.95191 125.7
[M+H-H2O]+ 130.98601 125.6
[M+HCOO]- 192.98695 145.0
[M+CH3COO]- 207.00260 174.8
[M+Na-2H]- 168.96342 131.7
[M]+ 147.98820 142.0
[M]- 147.98930 142.0
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