CID 82534

4-hydroxybutyl dihydrogen phosphate

Structural Information

Molecular Formula
C4H11O5P
SMILES
C(CCOP(=O)(O)O)CO
InChI
InChI=1S/C4H11O5P/c5-3-1-2-4-9-10(6,7)8/h5H,1-4H2,(H2,6,7,8)
InChIKey
LZINOQJQXIEBNN-UHFFFAOYSA-N
Compound name
4-hydroxybutyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3948
Patents

170.03441 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.041686 136.9
[M+Na]+ 193.023628 143.6
[M-H]- 169.027134 131.9
[M+NH4]+ 188.068233 155.7
[M+K]+ 208.997568 143.0
[M+H-H2O]+ 153.031670 130.7
[M+HCOO]- 215.032611 161.6
[M+CH3COO]- 229.048261 169.9
[M+Na-2H]- 191.009076 140.6
[M]+ 170.03386142 139.3
[M]- 170.03495858 139.3
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

patents stripe