CID 5463000

1-bromo-2-pentene, predominantly trans

Structural Information

Molecular Formula
C5H9Br
SMILES
CC/C=C/CBr
InChI
InChI=1S/C5H9Br/c1-2-3-4-5-6/h3-4H,2,5H2,1H3/b4-3+
InChIKey
FTBPZRNURKMEFD-ONEGZZNKSA-N
Compound name
(E)-1-bromopent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

544
Patents

147.98875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99603 123.4
[M+Na]+ 170.97797 135.0
[M-H]- 146.98147 126.7
[M+NH4]+ 166.02257 148.4
[M+K]+ 186.95191 124.8
[M+H-H2O]+ 130.98601 124.8
[M+HCOO]- 192.98695 145.2
[M+CH3COO]- 207.00260 174.0
[M+Na-2H]- 168.96342 132.3
[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