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
2
Annotation Hits

0
References

135
Patents

164.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02735 128.0
[M+Na]+ 187.00929 129.8
[M+NH4]+ 182.05389 133.3
[M+K]+ 202.98323 130.4
[M-H]- 163.01279 127.0
[M+Na-2H]- 184.99474 129.7
[M]+ 164.01952 126.7
[M]- 164.02062 126.7
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