CID 77230354

2-bromo-1,1-dimethylcyclopentane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1(CCCC1Br)C
InChI
InChI=1S/C7H13Br/c1-7(2)5-3-4-6(7)8/h6H,3-5H2,1-2H3
InChIKey
YWAZLGZDMIGDHZ-UHFFFAOYSA-N
Compound name
2-bromo-1,1-dimethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 133.1
[M+Na]+ 199.00929 144.6
[M-H]- 175.01279 139.5
[M+NH4]+ 194.05389 160.6
[M+K]+ 214.98323 134.9
[M+H-H2O]+ 159.01733 135.2
[M+HCOO]- 221.01827 153.8
[M+CH3COO]- 235.03392 178.0
[M+Na-2H]- 196.99474 139.6
[M]+ 176.01952 149.5
[M]- 176.02062 149.5
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.