CID 21934614

436851-80-8

Structural Information

Molecular Formula
C13H21N5O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC(=C2)N
InChI
InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-8-10(14)15-9-16-11/h8-9H,4-7H2,1-3H3,(H2,14,15,16)
InChIKey
JOZCBLMCQBMONN-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-aminopyrimidin-4-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

279.16953 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17681 166.0
[M+Na]+ 302.15875 175.9
[M+NH4]+ 297.20335 170.7
[M+K]+ 318.13269 172.3
[M-H]- 278.16225 166.2
[M+Na-2H]- 300.14420 170.8
[M]+ 279.16898 167.0
[M]- 279.17008 167.0
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