CID 62738696

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

Structural Information

Molecular Formula
C10H18O3
SMILES
CCOCCC1(CCCC1)C(=O)O
InChI
InChI=1S/C10H18O3/c1-2-13-8-7-10(9(11)12)5-3-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKey
CIYRHNCLDWOXIA-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.1256 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.13288 143.8
[M+Na]+ 209.11482 149.0
[M-H]- 185.11832 145.3
[M+NH4]+ 204.15942 166.3
[M+K]+ 225.08876 148.1
[M+H-H2O]+ 169.12286 139.3
[M+HCOO]- 231.12380 164.1
[M+CH3COO]- 245.13945 178.1
[M+Na-2H]- 207.10027 146.7
[M]+ 186.12505 143.3
[M]- 186.12615 143.3
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.