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 140.9
[M+Na]+ 215.04058 150.2
[M-H]- 191.04408 143.8
[M+NH4]+ 210.08518 164.0
[M+K]+ 231.01452 140.8
[M+H-H2O]+ 175.04862 141.6
[M+HCOO]- 237.04956 158.6
[M+CH3COO]- 251.06521 186.4
[M+Na-2H]- 213.02603 144.2
[M]+ 192.05081 159.2
[M]- 192.05191 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.