CID 385836

3-ethyl-3-nitro-1-nitrosoazetidine

Structural Information

Molecular Formula
C5H9N3O3
SMILES
CCC1(CN(C1)N=O)[N+](=O)[O-]
InChI
InChI=1S/C5H9N3O3/c1-2-5(8(10)11)3-7(4-5)6-9/h2-4H2,1H3
InChIKey
NBJPPEDGINAGOH-UHFFFAOYSA-N
Compound name
3-ethyl-3-nitro-1-nitrosoazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.06439 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07167 127.4
[M+Na]+ 182.05361 133.1
[M-H]- 158.05711 131.2
[M+NH4]+ 177.09821 141.8
[M+K]+ 198.02755 133.5
[M+H-H2O]+ 142.06165 121.0
[M+HCOO]- 204.06259 152.3
[M+CH3COO]- 218.07824 178.7
[M+Na-2H]- 180.03906 136.9
[M]+ 159.06384 135.5
[M]- 159.06494 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.