CID 58718570

2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)CC1(CCCC1)CC(=O)O
InChI
InChI=1S/C10H16O4/c1-14-9(13)7-10(6-8(11)12)4-2-3-5-10/h2-7H2,1H3,(H,11,12)
InChIKey
WMRCVFGWAKNFMD-UHFFFAOYSA-N
Compound name
2-[1-(2-methoxy-2-oxoethyl)cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

200.10486 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 145.7
[M+Na]+ 223.09408 151.0
[M-H]- 199.09758 147.3
[M+NH4]+ 218.13868 167.5
[M+K]+ 239.06802 150.5
[M+H-H2O]+ 183.10212 141.4
[M+HCOO]- 245.10306 165.5
[M+CH3COO]- 259.11871 179.5
[M+Na-2H]- 221.07953 147.6
[M]+ 200.10431 145.3
[M]- 200.10541 145.3
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

patents stripe