CID 440171

Glycerol 1,2-cyclic phosphate(1-)

Structural Information

Molecular Formula
C3H7O5P
SMILES
C1C(OP(=O)(O1)O)CO
InChI
InChI=1S/C3H7O5P/c4-1-3-2-7-9(5,6)8-3/h3-4H,1-2H2,(H,5,6)
InChIKey
PXLGNXWMKNZOAA-UHFFFAOYSA-N
Compound name
(2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

154.00311 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01039 126.6
[M+Na]+ 176.99233 134.7
[M-H]- 152.99583 127.9
[M+NH4]+ 172.03693 147.8
[M+K]+ 192.96627 136.7
[M+H-H2O]+ 137.00037 121.3
[M+HCOO]- 199.00131 152.2
[M+CH3COO]- 213.01696 166.2
[M+Na-2H]- 174.97778 132.0
[M]+ 154.00256 128.2
[M]- 154.00366 128.2
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