CID 3079424

Ammonium (4,5-dihydro-3-(phenylmethyl)-5-isoxazolyl)methylphosphinate

Structural Information

Molecular Formula
C11H14NO3P
SMILES
CP(=O)(C1CC(=NO1)CC2=CC=CC=C2)O
InChI
InChI=1S/C11H14NO3P/c1-16(13,14)11-8-10(12-15-11)7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,13,14)
InChIKey
PMUQCGRACKSJIR-UHFFFAOYSA-N
Compound name
(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.07114 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07842 153.9
[M+Na]+ 262.06036 160.8
[M-H]- 238.06386 157.4
[M+NH4]+ 257.10496 170.2
[M+K]+ 278.03430 159.6
[M+H-H2O]+ 222.06840 144.8
[M+HCOO]- 284.06934 179.0
[M+CH3COO]- 298.08499 187.1
[M+Na-2H]- 260.04581 156.4
[M]+ 239.07059 154.8
[M]- 239.07169 154.8
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.