CID 200975

3015-84-7

Structural Information

Molecular Formula
C13H21N2O5P
SMILES
CCOP(=O)(CCCCCN)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H21N2O5P/c1-2-19-21(18,11-5-3-4-10-14)20-13-8-6-12(7-9-13)15(16)17/h6-9H,2-5,10-11,14H2,1H3
InChIKey
CNEBENGMPHMVBW-UHFFFAOYSA-N
Compound name
5-[ethoxy-(4-nitrophenoxy)phosphoryl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1188 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12608 169.4
[M+Na]+ 339.10802 178.3
[M+NH4]+ 334.15262 174.3
[M+K]+ 355.08196 176.6
[M-H]- 315.11152 170.3
[M+Na-2H]- 337.09347 172.5
[M]+ 316.11825 170.4
[M]- 316.11935 170.4
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.