CID 22029174

Tert-butyl 4-aminopiperazine-1-carboxylate

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)N
InChI
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-4-6-12(10)7-5-11/h4-7,10H2,1-3H3
InChIKey
QMZFIRHRGPLKEV-UHFFFAOYSA-N
Compound name
tert-butyl 4-aminopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

201.14772 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.154996 148.7
[M+Na]+ 224.136938 153.8
[M-H]- 200.140444 148.5
[M+NH4]+ 219.181543 164.8
[M+K]+ 240.110878 153.3
[M+H-H2O]+ 184.144980 141.7
[M+HCOO]- 246.145921 164.8
[M+CH3COO]- 260.161571 185.6
[M+Na-2H]- 222.122386 152.1
[M]+ 201.14717142 144.8
[M]- 201.14826858 144.8
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