CID 83742937

1518567-39-9

Structural Information

Molecular Formula
C13H23N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CNC2
InChI
InChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)16-6-4-15(5-7-16)11(17)10-8-14-9-10/h10,14H,4-9H2,1-3H3
InChIKey
WUTWXLIMWWJORS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(azetidine-3-carbonyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17395 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18123 167.4
[M+Na]+ 292.16317 169.1
[M-H]- 268.16667 167.0
[M+NH4]+ 287.20777 172.2
[M+K]+ 308.13711 170.8
[M+H-H2O]+ 252.17121 153.6
[M+HCOO]- 314.17215 176.5
[M+CH3COO]- 328.18780 196.4
[M+Na-2H]- 290.14862 167.1
[M]+ 269.17340 171.0
[M]- 269.17450 171.0
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.