CID 160641

Ethyl 2-cyclohexylpropionate

Structural Information

Molecular Formula
C11H20O2
SMILES
CCOC(=O)C(C)C1CCCCC1
InChI
InChI=1S/C11H20O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKey
PZUDDXJZNSJESK-UHFFFAOYSA-N
Compound name
ethyl 2-cyclohexylpropanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

821
Patents

184.14633 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 144.6
[M+Na]+ 207.13555 147.9
[M-H]- 183.13905 146.9
[M+NH4]+ 202.18015 164.1
[M+K]+ 223.10949 147.6
[M+H-H2O]+ 167.14359 138.8
[M+HCOO]- 229.14453 162.8
[M+CH3COO]- 243.16018 182.7
[M+Na-2H]- 205.12100 146.2
[M]+ 184.14578 141.8
[M]- 184.14688 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe