CID 6602348

Pd041432

Structural Information

Molecular Formula
C11H14O3P
SMILES
CC1=CC2=C(C=C1)O[C@@H](CC2)C[P+](=O)O
InChI
InChI=1S/C11H13O3P/c1-8-2-5-11-9(6-8)3-4-10(14-11)7-15(12)13/h2,5-6,10H,3-4,7H2,1H3/p+1/t10-/m0/s1
InChIKey
YQMIJXOFRBXAKQ-JTQLQIEISA-O
Compound name
hydroxy-[[(2S)-6-methyl-3,4-dihydro-2H-chromen-2-yl]methyl]-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06805 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07533 150.8
[M+Na]+ 248.05727 157.4
[M-H]- 224.06077 153.6
[M+NH4]+ 243.10187 168.4
[M+K]+ 264.03121 150.7
[M+H-H2O]+ 208.06531 145.5
[M+HCOO]- 270.06625 173.9
[M+CH3COO]- 284.08190 181.3
[M+Na-2H]- 246.04272 155.5
[M]+ 225.06750 149.8
[M]- 225.06860 149.8
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.