CID 175685864

Phenyl (3-propoxypropyl) hydrogen phosphate

Structural Information

Molecular Formula
C12H19O5P
SMILES
CCCOCCCOP(=O)(O)OC1=CC=CC=C1
InChI
InChI=1S/C12H19O5P/c1-2-9-15-10-6-11-16-18(13,14)17-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,13,14)
InChIKey
SDTKWSRBERRUGE-UHFFFAOYSA-N
Compound name
phenyl 3-propoxypropyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09702 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10430 164.2
[M+Na]+ 297.08624 169.6
[M-H]- 273.08974 164.6
[M+NH4]+ 292.13084 180.0
[M+K]+ 313.06018 168.4
[M+H-H2O]+ 257.09428 155.2
[M+HCOO]- 319.09522 191.0
[M+CH3COO]- 333.11087 194.5
[M+Na-2H]- 295.07169 167.4
[M]+ 274.09647 170.6
[M]- 274.09757 170.6
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.