CID 4961274

174855-53-9

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2CN
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)14-7-5-4-6-13(14)12-17/h4-7H,8-12,17H2,1-3H3
InChIKey
UINNZXQKTNAOBL-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-(aminomethyl)phenyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

291.19467 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.201946 172.9
[M+Na]+ 314.183888 177.1
[M-H]- 290.187394 175.5
[M+NH4]+ 309.228493 185.1
[M+K]+ 330.157828 174.2
[M+H-H2O]+ 274.191930 163.9
[M+HCOO]- 336.192871 188.1
[M+CH3COO]- 350.208521 203.6
[M+Na-2H]- 312.169336 174.6
[M]+ 291.19412142 169.3
[M]- 291.19521858 169.3
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