CID 119031735

Ethyl 2-(adamantan-2-yl)-3-aminopropanoate hydrochloride

Structural Information

Molecular Formula
C15H25NO2
SMILES
CCOC(=O)C(CN)C1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C15H25NO2/c1-2-18-15(17)13(8-16)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-14H,2-8,16H2,1H3
InChIKey
YSJUVHYJPMWUPD-UHFFFAOYSA-N
Compound name
ethyl 2-(2-adamantyl)-3-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.18852 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.195796 162.3
[M+Na]+ 274.177738 161.8
[M-H]- 250.181244 156.3
[M+NH4]+ 269.222343 183.7
[M+K]+ 290.151678 159.6
[M+H-H2O]+ 234.185780 156.7
[M+HCOO]- 296.186721 167.4
[M+CH3COO]- 310.202371 169.1
[M+Na-2H]- 272.163186 168.0
[M]+ 251.18797142 161.9
[M]- 251.18906858 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

No patent data available for this compound.