CID 20849290

3-(3-ethylcyclopentyl)propanoic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
CCC1CCC(C1)CCC(=O)O
InChI
InChI=1S/C10H18O2/c1-2-8-3-4-9(7-8)5-6-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKey
WVRFSLWCFASCIS-UHFFFAOYSA-N
Compound name
3-(3-ethylcyclopentyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

367
References

673
Patents

170.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 141.0
[M+Na]+ 193.11990 146.3
[M-H]- 169.12340 142.5
[M+NH4]+ 188.16450 162.4
[M+K]+ 209.09384 144.6
[M+H-H2O]+ 153.12794 135.9
[M+HCOO]- 215.12888 161.0
[M+CH3COO]- 229.14453 177.7
[M+Na-2H]- 191.10535 141.9
[M]+ 170.13013 139.0
[M]- 170.13123 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe