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

40
Patents

202.09535 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 141.8
[M+Na]+ 225.08457 146.3
[M-H]- 201.08807 144.0
[M+NH4]+ 220.12917 152.6
[M+K]+ 241.05851 146.3
[M+H-H2O]+ 185.09261 135.0
[M+HCOO]- 247.09355 161.2
[M+CH3COO]- 261.10920 181.5
[M+Na-2H]- 223.07002 147.9
[M]+ 202.09480 149.6
[M]- 202.09590 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