CID 141675

4-bromopent-1-ene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
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 124.0
[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

literature stripe

Patent stripe

patents stripe