CID 91414

3-bromo-3-methylpentane

Structural Information

Molecular Formula
C6H13Br
SMILES
CCC(C)(CC)Br
InChI
InChI=1S/C6H13Br/c1-4-6(3,7)5-2/h4-5H2,1-3H3
InChIKey
ZRPQYKLJSOLRPZ-UHFFFAOYSA-N
Compound name
3-bromo-3-methylpentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

71
Patents

164.02007 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02735 130.5
[M+Na]+ 187.00929 141.8
[M-H]- 163.01279 133.9
[M+NH4]+ 182.05389 155.1
[M+K]+ 202.98323 132.2
[M+H-H2O]+ 147.01733 132.2
[M+HCOO]- 209.01827 150.3
[M+CH3COO]- 223.03392 178.7
[M+Na-2H]- 184.99474 139.2
[M]+ 164.01952 149.6
[M]- 164.02062 149.6
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