CID 120568

1775-11-7

Structural Information

Molecular Formula
C10H14NO3P
SMILES
CCCNP1(=O)OCC2=CC=CC=C2O1
InChI
InChI=1S/C10H14NO3P/c1-2-7-11-15(12)13-8-9-5-3-4-6-10(9)14-15/h3-6H,2,7-8H2,1H3,(H,11,12)
InChIKey
KTEZHSYGEGIZSM-UHFFFAOYSA-N
Compound name
2-oxo-N-propyl-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07114 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07842 150.4
[M+Na]+ 250.06036 157.4
[M-H]- 226.06386 154.7
[M+NH4]+ 245.10496 169.0
[M+K]+ 266.03430 157.9
[M+H-H2O]+ 210.06840 141.8
[M+HCOO]- 272.06934 176.5
[M+CH3COO]- 286.08499 190.6
[M+Na-2H]- 248.04581 157.4
[M]+ 227.07059 152.4
[M]- 227.07169 152.4
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.