CID 2882775

95853-32-0

Structural Information

Molecular Formula
C13H21NO2
SMILES
COC(=O)C(C12CC3CC(C1)CC(C3)C2)N
InChI
InChI=1S/C13H21NO2/c1-16-12(15)11(14)13-5-8-2-9(6-13)4-10(3-8)7-13/h8-11H,2-7,14H2,1H3
InChIKey
LHKFCXJRGNQYNN-UHFFFAOYSA-N
Compound name
methyl 2-(1-adamantyl)-2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

223.15723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.164506 154.3
[M+Na]+ 246.146448 155.1
[M-H]- 222.149954 148.7
[M+NH4]+ 241.191053 178.7
[M+K]+ 262.120388 153.1
[M+H-H2O]+ 206.154490 148.8
[M+HCOO]- 268.155431 160.1
[M+CH3COO]- 282.171081 162.1
[M+Na-2H]- 244.131896 162.6
[M]+ 223.15668142 153.3
[M]- 223.15777858 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe