CID 54593810

2-(cyclopentylmethyl)-3-methylbutanoic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)C(CC1CCCC1)C(=O)O
InChI
InChI=1S/C11H20O2/c1-8(2)10(11(12)13)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKey
SPIOVZORWGHRTD-UHFFFAOYSA-N
Compound name
2-(cyclopentylmethyl)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 147.2
[M+Na]+ 207.13555 150.6
[M-H]- 183.13905 148.3
[M+NH4]+ 202.18015 167.6
[M+K]+ 223.10949 149.7
[M+H-H2O]+ 167.14359 141.8
[M+HCOO]- 229.14453 164.9
[M+CH3COO]- 243.16018 181.3
[M+Na-2H]- 205.12100 145.7
[M]+ 184.14578 143.9
[M]- 184.14688 143.9
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

No patent data available for this compound.