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]+ 191.04298 139.0
[M+Na]+ 213.02492 149.3
[M-H]- 189.02842 144.9
[M+NH4]+ 208.06952 165.7
[M+K]+ 228.99886 139.3
[M+H-H2O]+ 173.03296 140.6
[M+HCOO]- 235.03390 159.4
[M+CH3COO]- 249.04955 179.8
[M+Na-2H]- 211.01037 145.5
[M]+ 190.03515 155.4
[M]- 190.03625 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.