CID 11287789

Ethyl 2-amino-3-cyclohexylpropanoate hydrochloride

Structural Information

Molecular Formula
C11H21NO2
SMILES
CCOC(=O)C(CC1CCCCC1)N
InChI
InChI=1S/C11H21NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h9-10H,2-8,12H2,1H3
InChIKey
NYJXAHCVTRDWEF-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-cyclohexylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

199.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 149.2
[M+Na]+ 222.14645 151.5
[M-H]- 198.14995 150.8
[M+NH4]+ 217.19105 167.3
[M+K]+ 238.12039 150.8
[M+H-H2O]+ 182.15449 142.8
[M+HCOO]- 244.15543 167.7
[M+CH3COO]- 258.17108 186.9
[M+Na-2H]- 220.13190 149.9
[M]+ 199.15668 144.5
[M]- 199.15778 144.5
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