CID 2852887

Methyl 3-aminoadamantane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H19NO2
SMILES
COC(=O)C12CC3CC(C1)CC(C3)(C2)N
InChI
InChI=1S/C12H19NO2/c1-15-10(14)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7,13H2,1H3
InChIKey
YCDFPJJVFUVJJF-UHFFFAOYSA-N
Compound name
methyl 3-aminoadamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

72
Patents

209.14159 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 150.5
[M+Na]+ 232.130808 153.4
[M-H]- 208.134314 145.5
[M+NH4]+ 227.175413 177.5
[M+K]+ 248.104748 150.8
[M+H-H2O]+ 192.138850 144.6
[M+HCOO]- 254.139791 157.6
[M+CH3COO]- 268.155441 159.3
[M+Na-2H]- 230.116256 161.2
[M]+ 209.14104142 150.2
[M]- 209.14213858 150.2
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