CID 20344599

1-bromo-2,4-dimethylpentane

Structural Information

Molecular Formula
C7H15Br
SMILES
CC(C)CC(C)CBr
InChI
InChI=1S/C7H15Br/c1-6(2)4-7(3)5-8/h6-7H,4-5H2,1-3H3
InChIKey
SQPLOXIDSDCSKA-UHFFFAOYSA-N
Compound name
1-bromo-2,4-dimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

178.0357 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.042976 135.8
[M+Na]+ 201.024918 145.8
[M-H]- 177.028424 138.9
[M+NH4]+ 196.069523 159.6
[M+K]+ 216.998858 136.3
[M+H-H2O]+ 161.032960 136.7
[M+HCOO]- 223.033901 154.9
[M+CH3COO]- 237.049551 182.7
[M+Na-2H]- 199.010366 141.0
[M]+ 178.03515142 154.5
[M]- 178.03624858 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