CID 753

Glycerol

Structural Information

Molecular Formula
C3H8O3
SMILES
C(C(CO)O)O
InChI
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKey
PEDCQBHIVMGVHV-UHFFFAOYSA-N
Compound name
propane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

49000
References

626369
Patents

92.04734 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.054616 116.7
[M+Na]+ 115.03656 123.6
[M-H]- 91.040064 113.2
[M+NH4]+ 110.08116 138.2
[M+K]+ 131.01050 123.2
[M+H-H2O]+ 75.044600 113.1
[M+HCOO]- 137.04554 136.6
[M+CH3COO]- 151.06119 157.0
[M+Na-2H]- 113.02201 122.4
[M]+ 92.046791 114.8
[M]- 92.047889 114.8
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.