CID 130137445

Tert-butyl 3-[(e)-2-nitroethenyl]azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C10H16N2O4/c1-10(2,3)16-9(13)11-6-8(7-11)4-5-12(14)15/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKey
UAZCLSMUAALZAX-SNAWJCMRSA-N
Compound name
tert-butyl 3-[(E)-2-nitroethenyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11829 152.9
[M+Na]+ 251.10023 157.4
[M+NH4]+ 246.14483 154.2
[M+K]+ 267.07417 158.5
[M-H]- 227.10373 149.3
[M+Na-2H]- 249.08568 152.0
[M]+ 228.11046 150.8
[M]- 228.11156 150.8
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.