CID 22336109

361345-37-1

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CC1=C(C=CC(=C1)N)N2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H25N3O2/c1-12-11-13(17)5-6-14(12)18-7-9-19(10-8-18)15(20)21-16(2,3)4/h5-6,11H,7-10,17H2,1-4H3
InChIKey
QSSVQUXXRYNJIZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-amino-2-methylphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

291.19467 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 173.0
[M+Na]+ 314.18389 178.2
[M-H]- 290.18739 176.1
[M+NH4]+ 309.22849 185.6
[M+K]+ 330.15783 175.3
[M+H-H2O]+ 274.19193 164.4
[M+HCOO]- 336.19287 188.2
[M+CH3COO]- 350.20852 204.8
[M+Na-2H]- 312.16934 174.0
[M]+ 291.19412 169.9
[M]- 291.19522 169.9
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