CID 53429177

3-[1-(methoxycarbonyl)cyclopentyl]propanoic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)C1(CCCC1)CCC(=O)O
InChI
InChI=1S/C10H16O4/c1-14-9(13)10(5-2-3-6-10)7-4-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
ZPFYCWFBOMFSHL-UHFFFAOYSA-N
Compound name
3-(1-methoxycarbonylcyclopentyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 145.7
[M+Na]+ 223.094078 151.0
[M-H]- 199.097584 147.3
[M+NH4]+ 218.138683 167.5
[M+K]+ 239.068018 150.5
[M+H-H2O]+ 183.102120 141.4
[M+HCOO]- 245.103061 165.5
[M+CH3COO]- 259.118711 179.5
[M+Na-2H]- 221.079526 147.6
[M]+ 200.10431142 145.3
[M]- 200.10540858 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

No patent data available for this compound.