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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.