CID 67957597

2-cyclopentyl-3,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)(C)C(C1CCCC1)C(=O)O
InChI
InChI=1S/C11H20O2/c1-11(2,3)9(10(12)13)8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKey
UXRVXFFPRGIEMZ-UHFFFAOYSA-N
Compound name
2-cyclopentyl-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 145.7
[M+Na]+ 207.135548 149.9
[M-H]- 183.139054 147.2
[M+NH4]+ 202.180153 166.5
[M+K]+ 223.109488 149.0
[M+H-H2O]+ 167.143590 141.2
[M+HCOO]- 229.144531 162.9
[M+CH3COO]- 243.160181 180.0
[M+Na-2H]- 205.120996 146.4
[M]+ 184.14578142 142.6
[M]- 184.14687858 142.6
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