CID 137935330

2248367-05-5

Structural Information

Molecular Formula
C7H13NO2
SMILES
CO[C@@H]1CN[C@@H]2[C@H]1COC2
InChI
InChI=1S/C7H13NO2/c1-9-7-2-8-6-4-10-3-5(6)7/h5-8H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKey
LRYILEXAEZWYGC-DSYKOEDSSA-N
Compound name
(3S,3aS,6aR)-3-methoxy-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 129.8
[M+Na]+ 166.083858 136.6
[M-H]- 142.087364 131.7
[M+NH4]+ 161.128463 152.4
[M+K]+ 182.057798 136.5
[M+H-H2O]+ 126.091900 124.9
[M+HCOO]- 188.092841 148.6
[M+CH3COO]- 202.108491 169.4
[M+Na-2H]- 164.069306 133.8
[M]+ 143.09409142 127.4
[M]- 143.09518858 127.4
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.