CID 171921114

Rac-(3ar,4r,6as)-4-methoxy-octahydrocyclopenta[c]pyrrole

Structural Information

Molecular Formula
C8H15NO
SMILES
CO[C@H]1CC[C@@H]2[C@@H]1CNC2
InChI
InChI=1S/C8H15NO/c1-10-8-3-2-6-4-9-5-7(6)8/h6-9H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKey
JEAZATZVBBQEBK-FXQIFTODSA-N
Compound name
(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 132.6
[M+Na]+ 164.10459 139.0
[M-H]- 140.10809 133.8
[M+NH4]+ 159.14919 156.6
[M+K]+ 180.07853 137.3
[M+H-H2O]+ 124.11263 127.2
[M+HCOO]- 186.11357 151.8
[M+CH3COO]- 200.12922 170.5
[M+Na-2H]- 162.09004 135.1
[M]+ 141.11482 128.5
[M]- 141.11592 128.5
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.