CID 12723264

(bromomethyl)cyclopentane

Structural Information

Molecular Formula
C6H11Br
SMILES
C1CCC(C1)CBr
InChI
InChI=1S/C6H11Br/c7-5-6-3-1-2-4-6/h6H,1-5H2
InChIKey
XYZUWOHEILWUID-UHFFFAOYSA-N
Compound name
bromomethylcyclopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1076
Patents

162.00441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.011686 132.0
[M+Na]+ 184.993628 142.2
[M-H]- 160.997134 137.8
[M+NH4]+ 180.038233 157.8
[M+K]+ 200.967568 132.7
[M+H-H2O]+ 145.001670 133.0
[M+HCOO]- 207.002611 152.9
[M+CH3COO]- 221.018261 174.6
[M+Na-2H]- 182.979076 138.3
[M]+ 162.00386142 147.3
[M]- 162.00495858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe