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]+ 251.06412 153.5
[M+Na]+ 273.04606 162.8
[M-H]- 249.04956 158.9
[M+NH4]+ 268.09066 177.8
[M+K]+ 289.02000 153.1
[M+H-H2O]+ 233.05410 154.4
[M+HCOO]- 295.05504 173.6
[M+CH3COO]- 309.07069 189.0
[M+Na-2H]- 271.03151 158.9
[M]+ 250.05629 173.3
[M]- 250.05739 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.