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]+ 191.04298 142.3
[M+Na]+ 213.02492 151.5
[M-H]- 189.02842 147.9
[M+NH4]+ 208.06952 167.0
[M+K]+ 228.99886 141.7
[M+H-H2O]+ 173.03296 142.9
[M+HCOO]- 235.03390 161.6
[M+CH3COO]- 249.04955 181.0
[M+Na-2H]- 211.01037 146.3
[M]+ 190.03515 157.6
[M]- 190.03625 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.