CID 121218

1911-63-3

Structural Information

Molecular Formula
C11H16NO3P
SMILES
CCN(CC)P1(=O)OCC2=CC=CC=C2O1
InChI
InChI=1S/C11H16NO3P/c1-3-12(4-2)16(13)14-9-10-7-5-6-8-11(10)15-16/h5-8H,3-4,9H2,1-2H3
InChIKey
DWWGCLHJFMGVKG-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09406 154.9
[M+Na]+ 264.07600 161.7
[M-H]- 240.07950 160.6
[M+NH4]+ 259.12060 173.6
[M+K]+ 280.04994 163.4
[M+H-H2O]+ 224.08404 146.1
[M+HCOO]- 286.08498 181.2
[M+CH3COO]- 300.10063 197.0
[M+Na-2H]- 262.06145 160.7
[M]+ 241.08623 158.6
[M]- 241.08733 158.6
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.