CID 11011301

170911-92-9

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11,16H2,1-3H3
InChIKey
RXFHRKPNLPBDGE-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-aminophenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1408
Patents

277.17902 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18630 168.4
[M+Na]+ 300.16824 173.1
[M-H]- 276.17174 171.3
[M+NH4]+ 295.21284 181.2
[M+K]+ 316.14218 170.4
[M+H-H2O]+ 260.17628 159.7
[M+HCOO]- 322.17722 184.0
[M+CH3COO]- 336.19287 200.6
[M+Na-2H]- 298.15369 170.7
[M]+ 277.17847 164.5
[M]- 277.17957 164.5
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