CID 62112542

1-(bromomethyl)-1-(3-methoxypropoxy)cyclopentane

Structural Information

Molecular Formula
C10H19BrO2
SMILES
COCCCOC1(CCCC1)CBr
InChI
InChI=1S/C10H19BrO2/c1-12-7-4-8-13-10(9-11)5-2-3-6-10/h2-9H2,1H3
InChIKey
NAVSNWQQZSSUAV-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(3-methoxypropoxy)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05684 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.064116 153.5
[M+Na]+ 273.046058 162.8
[M-H]- 249.049564 158.9
[M+NH4]+ 268.090663 177.8
[M+K]+ 289.019998 153.1
[M+H-H2O]+ 233.054100 154.4
[M+HCOO]- 295.055041 173.6
[M+CH3COO]- 309.070691 189.0
[M+Na-2H]- 271.031506 158.9
[M]+ 250.05629142 173.3
[M]- 250.05738858 173.3
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.