CID 165945307

2703778-78-1

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1C2C(CN1)OC(CO2)CO
InChI
InChI=1S/C7H13NO3/c9-3-5-4-10-6-1-8-2-7(6)11-5/h5-9H,1-4H2
InChIKey
OQPHCUTUDXRLMX-UHFFFAOYSA-N
Compound name
3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrol-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 132.8
[M+Na]+ 182.07876 141.8
[M+NH4]+ 177.12336 140.7
[M+K]+ 198.05270 140.0
[M-H]- 158.08226 135.0
[M+Na-2H]- 180.06421 133.8
[M]+ 159.08899 134.4
[M]- 159.09009 134.4
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.