CID 57425932

Methyl 4-aminoadamantane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H19NO2
SMILES
COC(=O)C12CC3CC(C1)C(C(C3)C2)N
InChI
InChI=1S/C12H19NO2/c1-15-11(14)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-10H,2-6,13H2,1H3
InChIKey
IXBLQWDWMIYKKE-UHFFFAOYSA-N
Compound name
methyl 4-aminoadamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

209.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 146.3
[M+Na]+ 232.13081 154.2
[M+NH4]+ 227.17541 158.5
[M+K]+ 248.10475 146.1
[M-H]- 208.13431 144.2
[M+Na-2H]- 230.11626 142.8
[M]+ 209.14104 146.8
[M]- 209.14214 146.8
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

patents stripe