CID 59425

N-beta-carbethoxyethyladamantanamine hydrochloride

Structural Information

Molecular Formula
C15H25NO2
SMILES
CCOC(=O)CCNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C15H25NO2/c1-2-18-14(17)3-4-16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,2-10H2,1H3
InChIKey
ITGXLOXJZKESRU-UHFFFAOYSA-N
Compound name
ethyl 3-(1-adamantylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.18852 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.19580 160.9
[M+Na]+ 274.17774 161.0
[M-H]- 250.18124 155.3
[M+NH4]+ 269.22234 184.4
[M+K]+ 290.15168 158.3
[M+H-H2O]+ 234.18578 154.5
[M+HCOO]- 296.18672 167.6
[M+CH3COO]- 310.20237 168.2
[M+Na-2H]- 272.16319 170.3
[M]+ 251.18797 161.9
[M]- 251.18907 161.9
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