CID 79308044

Tert-butyl 3-cyano-3-(piperazin-1-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#N)N2CCNCC2
InChI
InChI=1S/C13H22N4O2/c1-12(2,3)19-11(18)16-9-13(8-14,10-16)17-6-4-15-5-7-17/h15H,4-7,9-10H2,1-3H3
InChIKey
ISBXHLYBBQDCJT-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-piperazin-1-ylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1743 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18158 166.7
[M+Na]+ 289.16352 170.5
[M+NH4]+ 284.20812 166.3
[M+K]+ 305.13746 163.9
[M-H]- 265.16702 156.4
[M+Na-2H]- 287.14897 165.7
[M]+ 266.17375 162.3
[M]- 266.17485 162.3
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.