CID 10488751

381209-09-2

Structural Information

Molecular Formula
C13H24O2
SMILES
CCC(CC)CC1(CCCCC1)C(=O)O
InChI
InChI=1S/C13H24O2/c1-3-11(4-2)10-13(12(14)15)8-6-5-7-9-13/h11H,3-10H2,1-2H3,(H,14,15)
InChIKey
XRKJBJLXKLOLKS-UHFFFAOYSA-N
Compound name
1-(2-ethylbutyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

212.17763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 153.7
[M+Na]+ 235.16685 162.1
[M+NH4]+ 230.21145 162.5
[M+K]+ 251.14079 154.8
[M-H]- 211.17035 154.2
[M+Na-2H]- 233.15230 157.9
[M]+ 212.17708 154.9
[M]- 212.17818 154.9
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

patents stripe