CID 56923815

Tert-butyl 2-cyanopiperazine-1-carboxylate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCNCC1C#N
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-7-8(13)6-11/h8,12H,4-5,7H2,1-3H3
InChIKey
YCIUFWZZINYMBA-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyanopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

211.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 150.4
[M+Na]+ 234.12130 158.7
[M+NH4]+ 229.16590 152.8
[M+K]+ 250.09524 152.0
[M-H]- 210.12480 141.7
[M+Na-2H]- 232.10675 150.5
[M]+ 211.13153 147.9
[M]- 211.13263 147.9
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

patents stripe