CID 269526

20934-14-9

Structural Information

Molecular Formula
C5H11N2O5P
SMILES
CCC1(COP(=O)(OC1)N)[N+](=O)[O-]
InChI
InChI=1S/C5H11N2O5P/c1-2-5(7(8)9)3-11-13(6,10)12-4-5/h2-4H2,1H3,(H2,6,10)
InChIKey
OZCIRPFCEFELQM-UHFFFAOYSA-N
Compound name
5-ethyl-5-nitro-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

210.04056 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04784 138.2
[M+Na]+ 233.02978 144.5
[M-H]- 209.03328 141.7
[M+NH4]+ 228.07438 157.3
[M+K]+ 249.00372 143.2
[M+H-H2O]+ 193.03782 136.6
[M+HCOO]- 255.03876 165.2
[M+CH3COO]- 269.05441 178.6
[M+Na-2H]- 231.01523 147.6
[M]+ 210.04001 137.0
[M]- 210.04111 137.0
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.