CID 165948580

Methyl 2-[1-(bromomethyl)cyclopentyl]acetate

Structural Information

Molecular Formula
C9H15BrO2
SMILES
COC(=O)CC1(CCCC1)CBr
InChI
InChI=1S/C9H15BrO2/c1-12-8(11)6-9(7-10)4-2-3-5-9/h2-7H2,1H3
InChIKey
BESOOJQROIDGRA-UHFFFAOYSA-N
Compound name
methyl 2-[1-(bromomethyl)cyclopentyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.032816 148.6
[M+Na]+ 257.014758 158.3
[M-H]- 233.018264 154.3
[M+NH4]+ 252.059363 173.4
[M+K]+ 272.988698 148.8
[M+H-H2O]+ 217.022800 149.9
[M+HCOO]- 279.023741 168.2
[M+CH3COO]- 293.039391 185.4
[M+Na-2H]- 255.000206 153.4
[M]+ 234.02499142 166.7
[M]- 234.02608858 166.7
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.