CID 14068968

Tert-butyl 4-cyanopiperazine-1-carboxylate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C#N
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-6-4-12(8-11)5-7-13/h4-7H2,1-3H3
InChIKey
GDPSCFYDXPEIEE-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyanopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

211.13208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 146.7
[M+Na]+ 234.12130 153.7
[M-H]- 210.12480 146.6
[M+NH4]+ 229.16590 161.0
[M+K]+ 250.09524 152.9
[M+H-H2O]+ 194.12934 133.1
[M+HCOO]- 256.13028 159.2
[M+CH3COO]- 270.14593 197.3
[M+Na-2H]- 232.10675 150.2
[M]+ 211.13153 139.9
[M]- 211.13263 139.9
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.