CID 4201756

Ethyl(1-aminocyclohexyl)acetate hydrochloride

Structural Information

Molecular Formula
C10H19NO2
SMILES
CCOC(=O)CC1(CCCCC1)N
InChI
InChI=1S/C10H19NO2/c1-2-13-9(12)8-10(11)6-4-3-5-7-10/h2-8,11H2,1H3
InChIKey
BSOAERDQHDFUHE-UHFFFAOYSA-N
Compound name
ethyl 2-(1-aminocyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

185.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 143.8
[M+Na]+ 208.13081 147.8
[M-H]- 184.13431 145.9
[M+NH4]+ 203.17541 164.7
[M+K]+ 224.10475 147.1
[M+H-H2O]+ 168.13885 138.5
[M+HCOO]- 230.13979 163.7
[M+CH3COO]- 244.15544 182.5
[M+Na-2H]- 206.11626 147.6
[M]+ 185.14104 139.8
[M]- 185.14214 139.8
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