CID 11745204

1-bromo-2-methylhexane

Structural Information

Molecular Formula
C7H15Br
SMILES
CCCCC(C)CBr
InChI
InChI=1S/C7H15Br/c1-3-4-5-7(2)6-8/h7H,3-6H2,1-2H3
InChIKey
CKHQKWRHPZIGTM-UHFFFAOYSA-N
Compound name
1-bromo-2-methylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

178.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04298 135.3
[M+Na]+ 201.02492 145.4
[M-H]- 177.02842 138.2
[M+NH4]+ 196.06952 159.1
[M+K]+ 216.99886 135.6
[M+H-H2O]+ 161.03296 136.1
[M+HCOO]- 223.03390 155.3
[M+CH3COO]- 237.04955 182.0
[M+Na-2H]- 199.01037 141.6
[M]+ 178.03515 154.5
[M]- 178.03625 154.5
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