CID 139023995

Tert-butyl 2-[(e)-2-nitroethenyl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCCCC1/C=C/[N+](=O)[O-]
InChI
InChI=1S/C12H20N2O4/c1-12(2,3)18-11(15)13-8-5-4-6-10(13)7-9-14(16)17/h7,9-10H,4-6,8H2,1-3H3/b9-7+
InChIKey
BUSTZBISYJONFG-VQHVLOKHSA-N
Compound name
tert-butyl 2-[(E)-2-nitroethenyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14958 157.0
[M+Na]+ 279.13152 165.8
[M+NH4]+ 274.17612 162.5
[M+K]+ 295.10546 164.7
[M-H]- 255.13502 156.9
[M+Na-2H]- 277.11697 159.0
[M]+ 256.14175 157.7
[M]- 256.14285 157.7
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.