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]+ 267.181576 160.1
[M+Na]+ 289.163518 164.2
[M-H]- 265.167024 159.4
[M+NH4]+ 284.208123 166.1
[M+K]+ 305.137458 165.9
[M+H-H2O]+ 249.171560 141.3
[M+HCOO]- 311.172501 167.5
[M+CH3COO]- 325.188151 206.2
[M+Na-2H]- 287.148966 162.3
[M]+ 266.17375142 158.4
[M]- 266.17484858 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.