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 132.2
[M+Na]+ 182.07876 137.8
[M-H]- 158.08226 133.0
[M+NH4]+ 177.12336 150.3
[M+K]+ 198.05270 137.9
[M+H-H2O]+ 142.08680 126.9
[M+HCOO]- 204.08774 146.6
[M+CH3COO]- 218.10339 169.1
[M+Na-2H]- 180.06421 138.1
[M]+ 159.08899 127.9
[M]- 159.09009 127.9
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.