CID 24880889

1-bromo-2,3,3-trimethylbutane

Structural Information

Molecular Formula
C7H15Br
SMILES
CC(CBr)C(C)(C)C
InChI
InChI=1S/C7H15Br/c1-6(5-8)7(2,3)4/h6H,5H2,1-4H3
InChIKey
LCNHHVTUCGOHRJ-UHFFFAOYSA-N
Compound name
1-bromo-2,3,3-trimethylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.0357 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04298 135.5
[M+Na]+ 201.02492 146.3
[M-H]- 177.02842 138.9
[M+NH4]+ 196.06952 159.6
[M+K]+ 216.99886 136.7
[M+H-H2O]+ 161.03296 137.1
[M+HCOO]- 223.03390 154.1
[M+CH3COO]- 237.04955 181.6
[M+Na-2H]- 199.01037 142.4
[M]+ 178.03515 154.3
[M]- 178.03625 154.3
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