CID 95924

Avenin

Structural Information

Molecular Formula

C₆H₁₄NO₅P

SMILES

CC(C)OC(=O)NP(=O)(OC)OC

InChI

InChI=1S/C6H14NO5P/c1-5(2)12-6(8)7-13(9,10-3)11-4/h5H,1-4H3,(H,7,8,9)

InChIKey

XXRYFVCIMARHRS-UHFFFAOYSA-N

Compound name

propan-2-yl N-dimethoxyphosphorylcarbamate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 384
References: 3400
Patents: 211.06096 Da
Monoisotopic Mass: 0.2
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]+	212.068236	144.9
[M+Na]+	234.050178	151.2
[M-H]-	210.053684	144.3
[M+NH4]+	229.094783	164.0
[M+K]+	250.024118	153.4
[M+H-H2O]+	194.058220	137.7
[M+HCOO]-	256.059161	173.0
[M+CH3COO]-	270.074811	187.9
[M+Na-2H]-	232.035626	147.4
[M]+	211.06041142	150.9
[M]-	211.06150858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe