CID 66827518

1254115-22-4

Structural Information

Molecular Formula
C15H20N2O3
SMILES
C1CN(CCN1C2COC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H20N2O3/c18-15(20-10-13-4-2-1-3-5-13)17-8-6-16(7-9-17)14-11-19-12-14/h1-5,14H,6-12H2
InChIKey
VJDWVTGQLRWGKY-UHFFFAOYSA-N
Compound name
benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

276.1474 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 158.2
[M+Na]+ 299.136618 160.5
[M-H]- 275.140124 163.9
[M+NH4]+ 294.181223 163.0
[M+K]+ 315.110558 162.7
[M+H-H2O]+ 259.144660 142.9
[M+HCOO]- 321.145601 172.5
[M+CH3COO]- 335.161251 198.7
[M+Na-2H]- 297.122066 161.4
[M]+ 276.14685142 163.7
[M]- 276.14794858 163.7
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

patents stripe