CID 80089421

3-(bromomethyl)-2,4-dimethylpentane

Structural Information

Molecular Formula
C8H17Br
SMILES
CC(C)C(CBr)C(C)C
InChI
InChI=1S/C8H17Br/c1-6(2)8(5-9)7(3)4/h6-8H,5H2,1-4H3
InChIKey
NWVJELFGOVIAOD-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2,4-dimethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05136 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.058636 140.9
[M+Na]+ 215.040578 150.2
[M-H]- 191.044084 143.8
[M+NH4]+ 210.085183 164.0
[M+K]+ 231.014518 140.8
[M+H-H2O]+ 175.048620 141.6
[M+HCOO]- 237.049561 158.6
[M+CH3COO]- 251.065211 186.4
[M+Na-2H]- 213.026026 144.2
[M]+ 192.05081142 159.2
[M]- 192.05190858 159.2
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

No patent data available for this compound.