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 150.7
[M+Na]+ 251.10023 154.7
[M-H]- 227.10373 152.6
[M+NH4]+ 246.14483 160.4
[M+K]+ 267.07417 153.7
[M+H-H2O]+ 211.10827 143.6
[M+HCOO]- 273.10921 169.6
[M+CH3COO]- 287.12486 185.7
[M+Na-2H]- 249.08568 155.7
[M]+ 228.11046 158.4
[M]- 228.11156 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.