CID 66827518

Benzyl 4-(oxetan-3-yl)piperazine-1-carboxylate

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

73
Patents

276.1474 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 163.0
[M+Na]+ 299.13662 170.1
[M+NH4]+ 294.18122 166.0
[M+K]+ 315.11056 166.4
[M-H]- 275.14012 164.8
[M+Na-2H]- 297.12207 166.8
[M]+ 276.14685 163.1
[M]- 276.14795 163.1
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