CID 11243758

571189-16-7

Structural Information

Molecular Formula
C14H20N4O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21/h4-5,10H,6-9H2,1-3H3
InChIKey
SUWKOEMQNOBJEQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

558
Patents

308.14847 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15575 167.0
[M+Na]+ 331.13769 178.1
[M+NH4]+ 326.18229 172.0
[M+K]+ 347.11163 177.1
[M-H]- 307.14119 168.5
[M+Na-2H]- 329.12314 171.9
[M]+ 308.14792 168.6
[M]- 308.14902 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe