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]+ 252.19580 156.2
[M+Na]+ 274.17774 163.0
[M+NH4]+ 269.22234 166.3
[M+K]+ 290.15168 156.8
[M-H]- 250.18124 153.8
[M+Na-2H]- 272.16319 150.4
[M]+ 251.18797 156.1
[M]- 251.18907 156.1
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

No patent data available for this compound.