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

30
Patents

276.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 169.0
[M+Na]+ 299.172998 172.7
[M-H]- 275.176504 170.4
[M+NH4]+ 294.217603 181.4
[M+K]+ 315.146938 169.3
[M+H-H2O]+ 259.181040 160.4
[M+HCOO]- 321.181981 182.3
[M+CH3COO]- 335.197631 195.5
[M+Na-2H]- 297.158446 171.5
[M]+ 276.18323142 164.9
[M]- 276.18432858 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