CID 54593210

2-(cyclopentylmethyl)pentanoic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCC(CC1CCCC1)C(=O)O
InChI
InChI=1S/C11H20O2/c1-2-5-10(11(12)13)8-9-6-3-4-7-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKey
LNJSYAKSDAYQAX-UHFFFAOYSA-N
Compound name
2-(cyclopentylmethyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

184.14633 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 147.0
[M+Na]+ 207.135548 150.6
[M-H]- 183.139054 148.0
[M+NH4]+ 202.180153 167.4
[M+K]+ 223.109488 149.2
[M+H-H2O]+ 167.143590 141.5
[M+HCOO]- 229.144531 165.7
[M+CH3COO]- 243.160181 180.4
[M+Na-2H]- 205.120996 146.7
[M]+ 184.14578142 144.3
[M]- 184.14687858 144.3
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