CID 6555

1-bromo-2-methylpropane

Structural Information

Molecular Formula
C4H9Br
SMILES
CC(C)CBr
InChI
InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey
HLVFKOKELQSXIQ-UHFFFAOYSA-N
Compound name
1-bromo-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

13710
Patents

135.98875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.99603 121.1
[M+Na]+ 158.97797 132.5
[M-H]- 134.98147 124.7
[M+NH4]+ 154.02257 146.6
[M+K]+ 174.95191 123.5
[M+H-H2O]+ 118.98601 122.7
[M+HCOO]- 180.98695 142.1
[M+CH3COO]- 195.00260 173.5
[M+Na-2H]- 156.96342 129.2
[M]+ 135.98820 139.4
[M]- 135.98930 139.4
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