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

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 158.2
[M+Na]+ 299.13662 160.5
[M-H]- 275.14012 163.9
[M+NH4]+ 294.18122 163.0
[M+K]+ 315.11056 162.7
[M+H-H2O]+ 259.14466 142.9
[M+HCOO]- 321.14560 172.5
[M+CH3COO]- 335.16125 198.7
[M+Na-2H]- 297.12207 161.4
[M]+ 276.14685 163.7
[M]- 276.14795 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