CID 120566

Brn 1913634

Structural Information

Molecular Formula
C10H14NO3P
SMILES
CC(C)NP1(=O)OCC2=CC=CC=C2O1
InChI
InChI=1S/C10H14NO3P/c1-8(2)11-15(12)13-7-9-5-3-4-6-10(9)14-15/h3-6,8H,7H2,1-2H3,(H,11,12)
InChIKey
ICHLRQPBAQSOSJ-UHFFFAOYSA-N
Compound name
2-oxo-N-propan-2-yl-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

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07842 151.1
[M+Na]+ 250.06036 157.9
[M-H]- 226.06386 155.5
[M+NH4]+ 245.10496 169.7
[M+K]+ 266.03430 158.9
[M+H-H2O]+ 210.06840 142.7
[M+HCOO]- 272.06934 176.2
[M+CH3COO]- 286.08499 191.4
[M+Na-2H]- 248.04581 156.9
[M]+ 227.07059 152.6
[M]- 227.07169 152.6
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.