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
1
Annotation Hits

0
References

1152
Patents

162.00441 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.01169 132.0
[M+Na]+ 184.99363 142.2
[M-H]- 160.99713 137.8
[M+NH4]+ 180.03823 157.8
[M+K]+ 200.96757 132.7
[M+H-H2O]+ 145.00167 133.0
[M+HCOO]- 207.00261 152.9
[M+CH3COO]- 221.01826 174.6
[M+Na-2H]- 182.97908 138.3
[M]+ 162.00386 147.3
[M]- 162.00496 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