CID 16217943

193902-78-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

322
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 170.9
[M+Na]+ 331.13769 175.1
[M-H]- 307.14119 173.2
[M+NH4]+ 326.18229 180.5
[M+K]+ 347.11163 169.1
[M+H-H2O]+ 291.14573 166.0
[M+HCOO]- 353.14667 186.2
[M+CH3COO]- 367.16232 197.2
[M+Na-2H]- 329.12314 177.0
[M]+ 308.14792 167.3
[M]- 308.14902 167.3
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