CID 3040615

Methylphenylphosphoramidic acid diethyl ester

Structural Information

Molecular Formula
C11H18NO3P
SMILES
CCOP(=O)(N(C)C1=CC=CC=C1)OCC
InChI
InChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)12(3)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKey
BWXYXRLYYLXUNV-UHFFFAOYSA-N
Compound name
N-diethoxyphosphoryl-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.10243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10971 156.4
[M+Na]+ 266.09165 162.2
[M-H]- 242.09515 159.9
[M+NH4]+ 261.13625 174.7
[M+K]+ 282.06559 162.4
[M+H-H2O]+ 226.09969 147.4
[M+HCOO]- 288.10063 186.2
[M+CH3COO]- 302.11628 198.3
[M+Na-2H]- 264.07710 160.0
[M]+ 243.10188 162.1
[M]- 243.10298 162.1
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.