CID 137521

5-bromo-2-methyl-2-pentene

Structural Information

Molecular Formula
C6H11Br
SMILES
CC(=CCCBr)C
InChI
InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h4H,3,5H2,1-2H3
InChIKey
UNXURIHDFUQNOC-UHFFFAOYSA-N
Compound name
5-bromo-2-methylpent-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

536
Patents

162.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 128.8
[M+Na]+ 184.99363 139.8
[M-H]- 160.99713 132.1
[M+NH4]+ 180.03823 153.3
[M+K]+ 200.96757 129.7
[M+H-H2O]+ 145.00167 130.1
[M+HCOO]- 207.00261 149.4
[M+CH3COO]- 221.01826 177.6
[M+Na-2H]- 182.97908 135.9
[M]+ 162.00386 147.0
[M]- 162.00496 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