CID 177798801

1-(2-bromoethyl)-1-methylcyclopentane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC1(CCCC1)CCBr
InChI
InChI=1S/C8H15Br/c1-8(6-7-9)4-2-3-5-8/h2-7H2,1H3
InChIKey
KVHAYVFGOULZDE-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-1-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0357 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 139.0
[M+Na]+ 213.024918 149.3
[M-H]- 189.028424 144.9
[M+NH4]+ 208.069523 165.7
[M+K]+ 228.998858 139.3
[M+H-H2O]+ 173.032960 140.6
[M+HCOO]- 235.033901 159.4
[M+CH3COO]- 249.049551 179.8
[M+Na-2H]- 211.010366 145.5
[M]+ 190.03515142 155.4
[M]- 190.03624858 155.4
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.