CID 57617608

Ethyl 4-(ethylamino)cyclohexane-1-carboxylate

Structural Information

Molecular Formula
C11H21NO2
SMILES
CCNC1CCC(CC1)C(=O)OCC
InChI
InChI=1S/C11H21NO2/c1-3-12-10-7-5-9(6-8-10)11(13)14-4-2/h9-10,12H,3-8H2,1-2H3
InChIKey
UCLDINYUVODFTJ-UHFFFAOYSA-N
Compound name
ethyl 4-(ethylamino)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

199.15723 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 147.7
[M+Na]+ 222.146448 151.3
[M-H]- 198.149954 150.2
[M+NH4]+ 217.191053 166.6
[M+K]+ 238.120388 150.4
[M+H-H2O]+ 182.154490 141.5
[M+HCOO]- 244.155431 167.9
[M+CH3COO]- 258.171081 187.8
[M+Na-2H]- 220.131896 150.2
[M]+ 199.15668142 145.1
[M]- 199.15777858 145.1
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

patents stripe