CID 121147

1666-10-0

Structural Information

Molecular Formula

C₁₂H₂₀NO₃P

SMILES

CC(C)OP(=O)(NC1=CC=CC=C1)OC(C)C

InChI

InChI=1S/C12H20NO3P/c1-10(2)15-17(14,16-11(3)4)13-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,13,14)

InChIKey

AGOJKEHFCDIXQZ-UHFFFAOYSA-N

Compound name

N-di(propan-2-yloxy)phosphorylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 257.11807 Da
Monoisotopic Mass: 2.9
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]+	258.12535	162.0
[M+Na]+	280.10729	166.6
[M-H]-	256.11079	164.0
[M+NH4]+	275.15189	178.9
[M+K]+	296.08123	166.2
[M+H-H2O]+	240.11533	153.1
[M+HCOO]-	302.11627	188.9
[M+CH3COO]-	316.13192	199.5
[M+Na-2H]-	278.09274	163.3
[M]+	257.11752	165.4
[M]-	257.11862	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe