CID 105513011

Tert-butyl 3-(2-nitroethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CC[N+](=O)[O-]
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(15)13-7-4-5-10(9-13)6-8-14(16)17/h10H,4-9H2,1-3H3
InChIKey
HXDUBOPJZBICNZ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-nitroethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 157.7
[M+Na]+ 281.14718 166.5
[M+NH4]+ 276.19178 163.5
[M+K]+ 297.12112 165.4
[M-H]- 257.15068 157.9
[M+Na-2H]- 279.13263 159.8
[M]+ 258.15741 158.5
[M]- 258.15851 158.5
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.