CID 20785688

889948-55-4

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)CN
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-7-18(8-10-19)14-6-4-5-13(11-14)12-17/h4-6,11H,7-10,12,17H2,1-3H3
InChIKey
HOJRJVRBLJRPAD-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-(aminomethyl)phenyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

291.19467 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 171.2
[M+Na]+ 314.18389 181.1
[M+NH4]+ 309.22849 177.3
[M+K]+ 330.15783 176.2
[M-H]- 290.18739 173.1
[M+Na-2H]- 312.16934 176.2
[M]+ 291.19412 172.9
[M]- 291.19522 172.9
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