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 160.1
[M+Na]+ 289.16352 164.2
[M-H]- 265.16702 159.4
[M+NH4]+ 284.20812 166.1
[M+K]+ 305.13746 165.9
[M+H-H2O]+ 249.17156 141.3
[M+HCOO]- 311.17250 167.5
[M+CH3COO]- 325.18815 206.2
[M+Na-2H]- 287.14897 162.3
[M]+ 266.17375 158.4
[M]- 266.17485 158.4
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.