CID 369670

Nsc641688

Structural Information

Molecular Formula
C10H15NO5
SMILES
COC(=O)N1CC2CC(=O)OCC2C1CO
InChI
InChI=1S/C10H15NO5/c1-15-10(14)11-3-6-2-9(13)16-5-7(6)8(11)4-12/h6-8,12H,2-5H2,1H3
InChIKey
KPYMKCKFCVWUOD-UHFFFAOYSA-N
Compound name
methyl 3-(hydroxymethyl)-6-oxo-1,3,3a,4,7,7a-hexahydropyrano[3,4-c]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09502 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10230 148.3
[M+Na]+ 252.08424 155.0
[M-H]- 228.08774 150.3
[M+NH4]+ 247.12884 166.0
[M+K]+ 268.05818 154.9
[M+H-H2O]+ 212.09228 142.9
[M+HCOO]- 274.09322 164.0
[M+CH3COO]- 288.10887 185.3
[M+Na-2H]- 250.06969 150.2
[M]+ 229.09447 147.9
[M]- 229.09557 147.9
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.