CID 10986179

Cyclopenta[b]pyrrole, octahydro-, hydrochloride (1:1), (3ar,6ar)-rel-

Structural Information

Molecular Formula
C7H13N
SMILES
C1C[C@@H]2CCN[C@@H]2C1
InChI
InChI=1S/C7H13N/c1-2-6-4-5-8-7(6)3-1/h6-8H,1-5H2/t6-,7-/m1/s1
InChIKey
ADKDJHASTPQGEO-RNFRBKRXSA-N
Compound name
(3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1104
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.112076 125.3
[M+Na]+ 134.094018 131.3
[M-H]- 110.097524 126.3
[M+NH4]+ 129.138623 150.3
[M+K]+ 150.067958 129.5
[M+H-H2O]+ 94.102060 119.8
[M+HCOO]- 156.103001 144.7
[M+CH3COO]- 170.118651 138.3
[M+Na-2H]- 132.079466 128.9
[M]+ 111.10425142 119.0
[M]- 111.10534858 119.0
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

patents stripe