CID 95566122

Tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H20N4O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C(O2)N
InChI
InChI=1S/C12H20N4O3/c1-12(2,3)19-11(17)16-6-4-8(5-7-16)9-14-15-10(13)18-9/h8H,4-7H2,1-3H3,(H2,13,15)
InChIKey
SRUYAZKBNFXZHK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

268.15353 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.160806 164.0
[M+Na]+ 291.142748 169.8
[M-H]- 267.146254 166.8
[M+NH4]+ 286.187353 176.3
[M+K]+ 307.116688 169.3
[M+H-H2O]+ 251.150790 155.5
[M+HCOO]- 313.151731 179.3
[M+CH3COO]- 327.167381 196.6
[M+Na-2H]- 289.128196 166.0
[M]+ 268.15298142 162.3
[M]- 268.15407858 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

patents stripe