CID 34139

28073-38-3

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)OCC(C)NC2CCCCC2
InChI
InChI=1S/C18H27NO3/c1-3-21-17-11-9-15(10-12-17)18(20)22-13-14(2)19-16-7-5-4-6-8-16/h9-12,14,16,19H,3-8,13H2,1-2H3
InChIKey
CJWYMQTWXLDJMK-UHFFFAOYSA-N
Compound name
2-(cyclohexylamino)propyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 175.0
[M+Na]+ 328.188318 176.3
[M-H]- 304.191824 179.8
[M+NH4]+ 323.232923 188.8
[M+K]+ 344.162258 174.2
[M+H-H2O]+ 288.196360 166.4
[M+HCOO]- 350.197301 193.5
[M+CH3COO]- 364.212951 207.5
[M+Na-2H]- 326.173766 175.2
[M]+ 305.19855142 173.1
[M]- 305.19964858 173.1
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.