CID 97294509

Tert-butyl 3-nitroazetidine-1-carboxylate

Structural Information

Molecular Formula
C8H14N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)[N+](=O)[O-]
InChI
InChI=1S/C8H14N2O4/c1-8(2,3)14-7(11)9-4-6(5-9)10(12)13/h6H,4-5H2,1-3H3
InChIKey
NWGAORDHJOIORF-UHFFFAOYSA-N
Compound name
tert-butyl 3-nitroazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

202.09535 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.102626 141.8
[M+Na]+ 225.084568 146.3
[M-H]- 201.088074 144.0
[M+NH4]+ 220.129173 152.6
[M+K]+ 241.058508 146.3
[M+H-H2O]+ 185.092610 135.0
[M+HCOO]- 247.093551 161.2
[M+CH3COO]- 261.109201 181.5
[M+Na-2H]- 223.070016 147.9
[M]+ 202.09480142 149.6
[M]- 202.09589858 149.6
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