CID 366798

52944-12-4

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCOC(=O)C(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H21NO3/c1-2-18-13(17)12(16)15-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H,15,16)
InChIKey
HOHRNAAMSSTIJQ-UHFFFAOYSA-N
Compound name
ethyl 2-(1-adamantylamino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

251.15215 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 158.5
[M+Na]+ 274.14137 159.0
[M-H]- 250.14487 153.1
[M+NH4]+ 269.18597 181.9
[M+K]+ 290.11531 157.2
[M+H-H2O]+ 234.14941 152.7
[M+HCOO]- 296.15035 164.9
[M+CH3COO]- 310.16600 166.1
[M+Na-2H]- 272.12682 167.6
[M]+ 251.15160 159.3
[M]- 251.15270 159.3
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.