CID 222520

5-cyclopentylpentanoic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
C1CCC(C1)CCCCC(=O)O
InChI
InChI=1S/C10H18O2/c11-10(12)8-4-3-7-9-5-1-2-6-9/h9H,1-8H2,(H,11,12)
InChIKey
RQOBFWBITFBAPL-UHFFFAOYSA-N
Compound name
5-cyclopentylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

170.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 141.9
[M+Na]+ 193.119898 146.2
[M-H]- 169.123404 143.0
[M+NH4]+ 188.164503 162.9
[M+K]+ 209.093838 144.6
[M+H-H2O]+ 153.127940 136.4
[M+HCOO]- 215.128881 161.9
[M+CH3COO]- 229.144531 176.5
[M+Na-2H]- 191.105346 143.4
[M]+ 170.13013142 139.5
[M]- 170.13122858 139.5
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