CID 115013995

2-[1-(methoxymethyl)cyclopentyl]acetic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
COCC1(CCCC1)CC(=O)O
InChI
InChI=1S/C9H16O3/c1-12-7-9(6-8(10)11)4-2-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKey
WBNZBYZFMAJAQS-UHFFFAOYSA-N
Compound name
2-[1-(methoxymethyl)cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 139.2
[M+Na]+ 195.099158 144.9
[M-H]- 171.102664 140.9
[M+NH4]+ 190.143763 162.3
[M+K]+ 211.073098 144.2
[M+H-H2O]+ 155.107200 134.9
[M+HCOO]- 217.108141 159.9
[M+CH3COO]- 231.123791 175.1
[M+Na-2H]- 193.084606 142.7
[M]+ 172.10939142 138.3
[M]- 172.11048858 138.3
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.