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]+ 193.05864 135.8
[M+Na]+ 215.04058 136.9
[M+NH4]+ 210.08518 140.8
[M+K]+ 231.01452 137.9
[M-H]- 191.04408 134.6
[M+Na-2H]- 213.02603 136.7
[M]+ 192.05081 134.3
[M]- 192.05191 134.3
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

No patent data available for this compound.