CID 57420353

885698-82-8

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 161.0
[M+Na]+ 276.16825 167.1
[M-H]- 252.17175 160.7
[M+NH4]+ 271.21285 173.9
[M+K]+ 292.14219 166.2
[M+H-H2O]+ 236.17629 147.6
[M+HCOO]- 298.17723 171.1
[M+CH3COO]- 312.19288 205.9
[M+Na-2H]- 274.15370 163.8
[M]+ 253.17848 154.6
[M]- 253.17958 154.6
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