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 172.6
[M+Na]+ 339.10802 176.7
[M-H]- 315.11152 174.2
[M+NH4]+ 334.15262 186.2
[M+K]+ 355.08196 171.1
[M+H-H2O]+ 299.11606 167.7
[M+HCOO]- 361.11700 201.6
[M+CH3COO]- 375.13265 202.4
[M+Na-2H]- 337.09347 177.1
[M]+ 316.11825 175.6
[M]- 316.11935 175.6
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.