CID 53487922

Tert-butyl 3-cyanopiperazine-1-carboxylate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C#N
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-5,7H2,1-3H3
InChIKey
CBFXRUGJRMBDFG-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyanopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
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 148.5
[M+Na]+ 234.12130 155.1
[M-H]- 210.12480 147.1
[M+NH4]+ 229.16590 162.2
[M+K]+ 250.09524 153.5
[M+H-H2O]+ 194.12934 135.1
[M+HCOO]- 256.13028 159.6
[M+CH3COO]- 270.14593 195.0
[M+Na-2H]- 232.10675 151.4
[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

patents stripe