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 162.3
[M+Na]+ 274.17774 161.8
[M-H]- 250.18124 156.3
[M+NH4]+ 269.22234 183.7
[M+K]+ 290.15168 159.6
[M+H-H2O]+ 234.18578 156.7
[M+HCOO]- 296.18672 167.4
[M+CH3COO]- 310.20237 169.1
[M+Na-2H]- 272.16319 168.0
[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

No patent data available for this compound.