CID 69385

1-bromo-4-methylpentane

Structural Information

Molecular Formula
C6H13Br
SMILES
CC(C)CCCBr
InChI
InChI=1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3
InChIKey
XZKFBZOAIGFZSU-UHFFFAOYSA-N
Compound name
1-bromo-4-methylpentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1706
Patents

164.02007 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.027346 130.6
[M+Na]+ 187.009288 141.2
[M-H]- 163.012794 133.7
[M+NH4]+ 182.053893 154.9
[M+K]+ 202.983228 131.6
[M+H-H2O]+ 147.017330 131.7
[M+HCOO]- 209.018271 150.9
[M+CH3COO]- 223.033921 179.1
[M+Na-2H]- 184.994736 137.5
[M]+ 164.01952142 149.5
[M]- 164.02061858 149.5
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