CID 71305236

Benzyl 2,6-diazaspiro[4.5]decane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C16H22N2O2
SMILES
C1CCNC2(C1)CCN(C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H22N2O2/c19-15(20-12-14-6-2-1-3-7-14)18-11-9-16(13-18)8-4-5-10-17-16/h1-3,6-7,17H,4-5,8-13H2
InChIKey
ZYXDSFNOXAXADW-UHFFFAOYSA-N
Compound name
benzyl 2,6-diazaspiro[4.5]decane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 167.4
[M+Na]+ 297.15734 170.4
[M-H]- 273.16084 170.6
[M+NH4]+ 292.20194 183.2
[M+K]+ 313.13128 166.5
[M+H-H2O]+ 257.16538 158.0
[M+HCOO]- 319.16632 181.5
[M+CH3COO]- 333.18197 176.2
[M+Na-2H]- 295.14279 168.8
[M]+ 274.16757 159.7
[M]- 274.16867 159.7
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.