CID 78950

3-allyloxy-1,2-propanediol

Structural Information

Molecular Formula
C6H12O3
SMILES
C=CCOCC(CO)O
InChI
InChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2
InChIKey
PAKCOSURAUIXFG-UHFFFAOYSA-N
Compound name
3-prop-2-enoxypropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

26408
Patents

132.07864 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 128.2
[M+Na]+ 155.067858 134.6
[M-H]- 131.071364 125.6
[M+NH4]+ 150.112463 148.7
[M+K]+ 171.041798 133.7
[M+H-H2O]+ 115.075900 123.9
[M+HCOO]- 177.076841 148.9
[M+CH3COO]- 191.092491 167.7
[M+Na-2H]- 153.053306 132.9
[M]+ 132.07809142 128.6
[M]- 132.07918858 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe