CID 201113

8203 hc

Structural Information

Molecular Formula
C14H24N2O6P
SMILES
CC(C)OP(=O)(OCC[N+](C)(C)C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H24N2O6P/c1-12(2)21-23(19,20-11-10-16(3,4)5)22-14-8-6-13(7-9-14)15(17)18/h6-9,12H,10-11H2,1-5H3/q+1
InChIKey
KJCXEVFMNWDJFM-UHFFFAOYSA-N
Compound name
trimethyl-[2-[(4-nitrophenoxy)-propan-2-yloxyphosphoryl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14448 177.2
[M+Na]+ 370.12642 197.6
[M-H]- 346.12992 191.3
[M+NH4]+ 365.17102 196.5
[M+K]+ 386.10036 172.5
[M+H-H2O]+ 330.13446 175.6
[M+HCOO]- 392.13540 213.6
[M+CH3COO]- 406.15105 204.9
[M+Na-2H]- 368.11187 186.8
[M]+ 347.13665 184.6
[M]- 347.13775 184.6
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.