CID 121776

2-bromo-4-methylpentane

Structural Information

Molecular Formula
C6H13Br
SMILES
CC(C)CC(C)Br
InChI
InChI=1S/C6H13Br/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3
InChIKey
IUXIOXCOPJFKMQ-UHFFFAOYSA-N
Compound name
2-bromo-4-methylpentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

162
Patents

164.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.027346 131.1
[M+Na]+ 187.009288 141.5
[M-H]- 163.012794 134.3
[M+NH4]+ 182.053893 155.4
[M+K]+ 202.983228 132.3
[M+H-H2O]+ 147.017330 132.2
[M+HCOO]- 209.018271 150.5
[M+CH3COO]- 223.033921 179.9
[M+Na-2H]- 184.994736 136.8
[M]+ 164.01952142 149.4
[M]- 164.02061858 149.4
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