CID 171921114

2174000-23-6

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]+ 142.122646 132.6
[M+Na]+ 164.104588 139.0
[M-H]- 140.108094 133.8
[M+NH4]+ 159.149193 156.6
[M+K]+ 180.078528 137.3
[M+H-H2O]+ 124.112630 127.2
[M+HCOO]- 186.113571 151.8
[M+CH3COO]- 200.129221 170.5
[M+Na-2H]- 162.090036 135.1
[M]+ 141.11482142 128.5
[M]- 141.11591858 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.