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]+ 185.153606 147.2
[M+Na]+ 207.135548 150.6
[M-H]- 183.139054 148.3
[M+NH4]+ 202.180153 167.6
[M+K]+ 223.109488 149.7
[M+H-H2O]+ 167.143590 141.8
[M+HCOO]- 229.144531 164.9
[M+CH3COO]- 243.160181 181.3
[M+Na-2H]- 205.120996 145.7
[M]+ 184.14578142 143.9
[M]- 184.14687858 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.