CID 201357

C7kh7r89yx

Structural Information

Molecular Formula
C14H19NO4P
SMILES
CCOP(=O)(OCC)OC1=CC2=CC=CC=C2[N+](=C1)C
InChI
InChI=1S/C14H19NO4P/c1-4-17-20(16,18-5-2)19-13-10-12-8-6-7-9-14(12)15(3)11-13/h6-11H,4-5H2,1-3H3/q+1
InChIKey
UDYPRMJYNNPCRX-UHFFFAOYSA-N
Compound name
diethyl (1-methylquinolin-1-ium-3-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10516 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11244 170.1
[M+Na]+ 319.09438 177.9
[M-H]- 295.09788 172.6
[M+NH4]+ 314.13898 185.6
[M+K]+ 335.06832 170.7
[M+H-H2O]+ 279.10242 162.9
[M+HCOO]- 341.10336 195.5
[M+CH3COO]- 355.11901 196.6
[M+Na-2H]- 317.07983 177.3
[M]+ 296.10461 176.0
[M]- 296.10571 176.0
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.