CID 165623567

2-(2-cyclopentylethoxy)aceticacid

Structural Information

Molecular Formula
C9H16O3
SMILES
C1CCC(C1)CCOCC(=O)O
InChI
InChI=1S/C9H16O3/c10-9(11)7-12-6-5-8-3-1-2-4-8/h8H,1-7H2,(H,10,11)
InChIKey
PNQWYIXTINCBQB-UHFFFAOYSA-N
Compound name
2-(2-cyclopentylethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 139.9
[M+Na]+ 195.09916 144.6
[M-H]- 171.10266 141.2
[M+NH4]+ 190.14376 160.9
[M+K]+ 211.07310 143.8
[M+H-H2O]+ 155.10720 134.5
[M+HCOO]- 217.10814 160.6
[M+CH3COO]- 231.12379 175.5
[M+Na-2H]- 193.08461 142.1
[M]+ 172.10939 138.7
[M]- 172.11049 138.7
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.