CID 11073580

5-bromopent-2-ene

Structural Information

Molecular Formula
C5H9Br
SMILES
C/C=C/CCBr
InChI
InChI=1S/C5H9Br/c1-2-3-4-5-6/h2-3H,4-5H2,1H3/b3-2+
InChIKey
NXUCEINLRQGOSH-NSCUHMNNSA-N
Compound name
(E)-5-bromopent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

147.98875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.996026 123.4
[M+Na]+ 170.977968 135.0
[M-H]- 146.981474 126.7
[M+NH4]+ 166.022573 148.4
[M+K]+ 186.951908 124.8
[M+H-H2O]+ 130.986010 124.8
[M+HCOO]- 192.986951 145.2
[M+CH3COO]- 207.002601 174.0
[M+Na-2H]- 168.963416 132.3
[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

literature stripe

Patent stripe

patents stripe