CID 54593426

2-(cyclopentylmethyl)butanoic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
CCC(CC1CCCC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-2-9(10(11)12)7-8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKey
BWANPEYEQQDRFW-UHFFFAOYSA-N
Compound name
2-(cyclopentylmethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

170.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 142.3
[M+Na]+ 193.11990 146.4
[M-H]- 169.12340 143.5
[M+NH4]+ 188.16450 163.4
[M+K]+ 209.09384 145.3
[M+H-H2O]+ 153.12794 137.0
[M+HCOO]- 215.12888 161.4
[M+CH3COO]- 229.14453 177.4
[M+Na-2H]- 191.10535 142.6
[M]+ 170.13013 139.3
[M]- 170.13123 139.3
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