CID 16046145

934182-09-9

Structural Information

Molecular Formula

C₁₀H₁₈NO₄P

SMILES

CC1(COP(=O)(OC1)C2(CCC=[N+]2[O-])C)C

InChI

InChI=1S/C10H18NO4P/c1-9(2)7-14-16(13,15-8-9)10(3)5-4-6-11(10)12/h6H,4-5,7-8H2,1-3H3

InChIKey

OSKIWEPJAIOTFB-UHFFFAOYSA-N

Compound name

5,5-dimethyl-2-(2-methyl-1-oxido-3,4-dihydropyrrol-1-ium-2-yl)-1,3,2lambda5-dioxaphosphinane 2-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 108
Patents: 247.09735 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.10463	149.1
[M+Na]+	270.08657	156.5
[M-H]-	246.09007	153.7
[M+NH4]+	265.13117	169.4
[M+K]+	286.06051	153.5
[M+H-H2O]+	230.09461	147.2
[M+HCOO]-	292.09555	171.7
[M+CH3COO]-	306.11120	180.2
[M+Na-2H]-	268.07202	156.5
[M]+	247.09680	148.0
[M]-	247.09790	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe