CID 114450461

80361-43-9

Structural Information

Molecular Formula
C13H24O3
SMILES
CCCCCOC1CCC(CC1)C(=O)OC
InChI
InChI=1S/C13H24O3/c1-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15-2/h11-12H,3-10H2,1-2H3
InChIKey
WTTASQPZGQYWKV-UHFFFAOYSA-N
Compound name
methyl 4-pentoxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.17255 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.17983 155.8
[M+Na]+ 251.16177 159.4
[M-H]- 227.16527 158.0
[M+NH4]+ 246.20637 173.8
[M+K]+ 267.13571 158.6
[M+H-H2O]+ 211.16981 149.5
[M+HCOO]- 273.17075 174.6
[M+CH3COO]- 287.18640 191.0
[M+Na-2H]- 249.14722 157.0
[M]+ 228.17200 156.2
[M]- 228.17310 156.2
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.