CID 66328

Methyl 2-oxocyclopentanecarboxylate

Structural Information

Molecular Formula
C7H10O3
SMILES
COC(=O)C1CCCC1=O
InChI
InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3
InChIKey
PZBBESSUKAHBHD-UHFFFAOYSA-N
Compound name
methyl 2-oxocyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1672
Patents

142.06299 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 127.7
[M+Na]+ 165.05221 135.0
[M-H]- 141.05571 131.3
[M+NH4]+ 160.09681 151.0
[M+K]+ 181.02615 135.0
[M+H-H2O]+ 125.06025 123.0
[M+HCOO]- 187.06119 150.8
[M+CH3COO]- 201.07684 171.7
[M+Na-2H]- 163.03766 130.9
[M]+ 142.06244 127.3
[M]- 142.06354 127.3
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