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]+ 235.03282 148.6
[M+Na]+ 257.01476 158.3
[M-H]- 233.01826 154.3
[M+NH4]+ 252.05936 173.4
[M+K]+ 272.98870 148.8
[M+H-H2O]+ 217.02280 149.9
[M+HCOO]- 279.02374 168.2
[M+CH3COO]- 293.03939 185.4
[M+Na-2H]- 255.00021 153.4
[M]+ 234.02499 166.7
[M]- 234.02609 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.