CID 19612097

2-bromo-3-methylpentane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
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

No literature data available for this compound.

Patent stripe

patents stripe