CID 176472460

2-[hydroxy(octoxy)phosphoryl]oxyacetic acid

Structural Information

Molecular Formula
C10H21O6P
SMILES
CCCCCCCCOP(=O)(O)OCC(=O)O
InChI
InChI=1S/C10H21O6P/c1-2-3-4-5-6-7-8-15-17(13,14)16-9-10(11)12/h2-9H2,1H3,(H,11,12)(H,13,14)
InChIKey
AHINPHBDSFZBLN-UHFFFAOYSA-N
Compound name
2-[hydroxy(octoxy)phosphoryl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10757 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.114846 164.2
[M+Na]+ 291.096788 168.8
[M-H]- 267.100294 159.8
[M+NH4]+ 286.141393 179.7
[M+K]+ 307.070728 168.2
[M+H-H2O]+ 251.104830 156.7
[M+HCOO]- 313.105771 188.0
[M+CH3COO]- 327.121421 192.5
[M+Na-2H]- 289.082236 164.7
[M]+ 268.10702142 170.9
[M]- 268.10811858 170.9
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.