CID 57420353

Tert-butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H23N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(C)(C)C#N
InChI
InChI=1S/C13H23N3O2/c1-12(2,3)18-11(17)15-6-8-16(9-7-15)13(4,5)10-14/h6-9H2,1-5H3
InChIKey
AJMANAVUYHGZCV-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-cyanopropan-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

253.17903 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.18631 160.7
[M+Na]+ 276.16825 168.6
[M+NH4]+ 271.21285 162.8
[M+K]+ 292.14219 162.2
[M-H]- 252.17175 151.9
[M+Na-2H]- 274.15370 160.7
[M]+ 253.17848 158.3
[M]- 253.17958 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe