CID 46837164

Tert-butyl 4-nitropiperidine-1-carboxylate

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)[N+](=O)[O-]
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(13)11-6-4-8(5-7-11)12(14)15/h8H,4-7H2,1-3H3
InChIKey
XASYUHHGRZOCKH-UHFFFAOYSA-N
Compound name
tert-butyl 4-nitropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

230.12666 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.133936 151.1
[M+Na]+ 253.115878 155.5
[M-H]- 229.119384 152.8
[M+NH4]+ 248.160483 167.1
[M+K]+ 269.089818 151.5
[M+H-H2O]+ 213.123920 149.7
[M+HCOO]- 275.124861 169.2
[M+CH3COO]- 289.140511 182.5
[M+Na-2H]- 251.101326 156.7
[M]+ 230.12611142 147.6
[M]- 230.12720858 147.6
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