CID 13030569

(1-bromopropan-2-yl)cyclopentane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC(CBr)C1CCCC1
InChI
InChI=1S/C8H15Br/c1-7(6-9)8-4-2-3-5-8/h7-8H,2-6H2,1H3
InChIKey
KTSMVLMPHIFNMS-UHFFFAOYSA-N
Compound name
1-bromopropan-2-ylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0357 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 142.3
[M+Na]+ 213.024918 151.5
[M-H]- 189.028424 147.9
[M+NH4]+ 208.069523 167.0
[M+K]+ 228.998858 141.7
[M+H-H2O]+ 173.032960 142.9
[M+HCOO]- 235.033901 161.6
[M+CH3COO]- 249.049551 181.0
[M+Na-2H]- 211.010366 146.3
[M]+ 190.03515142 157.6
[M]- 190.03624858 157.6
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.