CID 119606

157230-67-6

Structural Information

Molecular Formula
C9H18NO4P
SMILES
CCOP(=O)(C1(CCC=[N+]1[O-])C)OCC
InChI
InChI=1S/C9H18NO4P/c1-4-13-15(12,14-5-2)9(3)7-6-8-10(9)11/h8H,4-7H2,1-3H3
InChIKey
OKCDBZSDRSXFIB-UHFFFAOYSA-N
Compound name
2-diethoxyphosphoryl-2-methyl-1-oxido-3,4-dihydropyrrol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

59
References

262
Patents

235.09735 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.104626 153.1
[M+Na]+ 258.086568 160.4
[M-H]- 234.090074 153.4
[M+NH4]+ 253.131173 173.1
[M+K]+ 274.060508 155.6
[M+H-H2O]+ 218.094610 151.1
[M+HCOO]- 280.095551 179.4
[M+CH3COO]- 294.111201 179.6
[M+Na-2H]- 256.072016 159.3
[M]+ 235.09680142 155.5
[M]- 235.09789858 155.5
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

patents stripe