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]+ 144.10192 129.8
[M+Na]+ 166.08386 136.6
[M-H]- 142.08736 131.7
[M+NH4]+ 161.12846 152.4
[M+K]+ 182.05780 136.5
[M+H-H2O]+ 126.09190 124.9
[M+HCOO]- 188.09284 148.6
[M+CH3COO]- 202.10849 169.4
[M+Na-2H]- 164.06931 133.8
[M]+ 143.09409 127.4
[M]- 143.09519 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.