CID 22382055

1-(2-methoxyethyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
COCCC1(CCCC1)C(=O)O
InChI
InChI=1S/C9H16O3/c1-12-7-6-9(8(10)11)4-2-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKey
LOKFPRJORFMFNY-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

172.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 139.2
[M+Na]+ 195.09916 144.9
[M-H]- 171.10266 140.9
[M+NH4]+ 190.14376 162.3
[M+K]+ 211.07310 144.2
[M+H-H2O]+ 155.10720 134.9
[M+HCOO]- 217.10814 159.9
[M+CH3COO]- 231.12379 175.1
[M+Na-2H]- 193.08461 142.7
[M]+ 172.10939 138.3
[M]- 172.11049 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

patents stripe