CID 24820557

947684-78-8

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC[C@H]1CC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m1/s1
InChIKey
QKUHUJCLUFLGCI-CQSZACIVSA-N
Compound name
tert-butyl (2R)-2-benzylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

276.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 169.0
[M+Na]+ 299.17300 172.7
[M-H]- 275.17650 170.4
[M+NH4]+ 294.21760 181.4
[M+K]+ 315.14694 169.3
[M+H-H2O]+ 259.18104 160.4
[M+HCOO]- 321.18198 182.3
[M+CH3COO]- 335.19763 195.5
[M+Na-2H]- 297.15845 171.5
[M]+ 276.18323 164.9
[M]- 276.18433 164.9
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