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]+ 259.165236 160.6
[M+Na]+ 281.147178 164.2
[M-H]- 257.150684 162.0
[M+NH4]+ 276.191783 175.5
[M+K]+ 297.121118 159.7
[M+H-H2O]+ 241.155220 158.8
[M+HCOO]- 303.156161 178.0
[M+CH3COO]- 317.171811 188.6
[M+Na-2H]- 279.132626 165.2
[M]+ 258.15741142 157.9
[M]- 258.15850858 157.9
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.