CID 130137445

1824882-94-1

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]+ 229.118286 150.7
[M+Na]+ 251.100228 154.7
[M-H]- 227.103734 152.6
[M+NH4]+ 246.144833 160.4
[M+K]+ 267.074168 153.7
[M+H-H2O]+ 211.108270 143.6
[M+HCOO]- 273.109211 169.6
[M+CH3COO]- 287.124861 185.7
[M+Na-2H]- 249.085676 155.7
[M]+ 228.11046142 158.4
[M]- 228.11155858 158.4
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.