CID 91996754

Butanoic acid, 2-methyl-5-(1-methylethyl)cyclopentyl ester

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCC(=O)OC1C(CCC1C(C)C)C
InChI
InChI=1S/C13H24O2/c1-5-6-12(14)15-13-10(4)7-8-11(13)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKey
IKPOQDCIDLEBJK-UHFFFAOYSA-N
Compound name
(2-methyl-5-propan-2-ylcyclopentyl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 152.8
[M+Na]+ 235.16685 161.3
[M+NH4]+ 230.21145 160.3
[M+K]+ 251.14079 157.9
[M-H]- 211.17035 153.2
[M+Na-2H]- 233.15230 154.6
[M]+ 212.17708 153.8
[M]- 212.17818 153.8
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.