CID 155820294

Methyl 8-aminodispiro[3.1.3^{6}.1^{4}]decane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H19NO2
SMILES
COC(=O)C1CC2(C1)CC3(C2)CC(C3)N
InChI
InChI=1S/C12H19NO2/c1-15-10(14)8-2-11(3-8)6-12(7-11)4-9(13)5-12/h8-9H,2-7,13H2,1H3
InChIKey
ZQUIJSMZIUIHAC-UHFFFAOYSA-N
Compound name
methyl 8-aminodispiro[3.1.36.14]decane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.148866 142.0
[M+Na]+ 232.130808 143.9
[M-H]- 208.134314 148.0
[M+NH4]+ 227.175413 144.7
[M+K]+ 248.104748 149.7
[M+H-H2O]+ 192.138850 127.1
[M+HCOO]- 254.139791 155.4
[M+CH3COO]- 268.155441 212.6
[M+Na-2H]- 230.116256 144.5
[M]+ 209.14104142 160.8
[M]- 209.14213858 160.8
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

No patent data available for this compound.