CID 72956262

89490-02-8

Structural Information

Molecular Formula
C6H11Br
SMILES
CC(CC=C)CBr
InChI
InChI=1S/C6H11Br/c1-3-4-6(2)5-7/h3,6H,1,4-5H2,2H3
InChIKey
PNIJDHKXDHFPBM-UHFFFAOYSA-N
Compound name
5-bromo-4-methylpent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

162.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 128.7
[M+Na]+ 184.993628 139.5
[M-H]- 160.997134 131.9
[M+NH4]+ 180.038233 153.0
[M+K]+ 200.967568 129.4
[M+H-H2O]+ 145.001670 129.9
[M+HCOO]- 207.002611 149.2
[M+CH3COO]- 221.018261 178.2
[M+Na-2H]- 182.979076 135.7
[M]+ 162.00386142 147.0
[M]- 162.00495858 147.0
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