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

892
Patents

111.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 125.3
[M+Na]+ 134.09402 131.3
[M-H]- 110.09752 126.3
[M+NH4]+ 129.13862 150.3
[M+K]+ 150.06796 129.5
[M+H-H2O]+ 94.102060 119.8
[M+HCOO]- 156.10300 144.7
[M+CH3COO]- 170.11865 138.3
[M+Na-2H]- 132.07947 128.9
[M]+ 111.10425 119.0
[M]- 111.10535 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