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

15
Patents

170.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 141.9
[M+Na]+ 193.11990 146.2
[M-H]- 169.12340 143.0
[M+NH4]+ 188.16450 162.9
[M+K]+ 209.09384 144.6
[M+H-H2O]+ 153.12794 136.4
[M+HCOO]- 215.12888 161.9
[M+CH3COO]- 229.14453 176.5
[M+Na-2H]- 191.10535 143.4
[M]+ 170.13013 139.5
[M]- 170.13123 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