CID 584330

Tert-butyl 4-benzylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChIKey
GVHSMUYEAWMYLM-UHFFFAOYSA-N
Compound name
tert-butyl 4-benzylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

178
Patents

276.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 168.5
[M+Na]+ 299.172998 172.7
[M-H]- 275.176504 171.3
[M+NH4]+ 294.217603 181.6
[M+K]+ 315.146938 170.1
[M+H-H2O]+ 259.181040 159.6
[M+HCOO]- 321.181981 183.3
[M+CH3COO]- 335.197631 198.0
[M+Na-2H]- 297.158446 171.5
[M]+ 276.18323142 166.2
[M]- 276.18432858 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe