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

85
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 131.1
[M+Na]+ 187.00929 141.5
[M-H]- 163.01279 134.3
[M+NH4]+ 182.05389 155.4
[M+K]+ 202.98323 132.3
[M+H-H2O]+ 147.01733 132.2
[M+HCOO]- 209.01827 150.5
[M+CH3COO]- 223.03392 179.9
[M+Na-2H]- 184.99474 136.8
[M]+ 164.01952 149.4
[M]- 164.02062 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

No literature data available for this compound.

Patent stripe

patents stripe