CID 97358980

Rac-(1r,3as,6ar)-octahydrocyclopenta[c]pyrrole-1-carboxamide

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1C[C@@H]2CN[C@H]([C@@H]2C1)C(=O)N
InChI
InChI=1S/C8H14N2O/c9-8(11)7-6-3-1-2-5(6)4-10-7/h5-7,10H,1-4H2,(H2,9,11)/t5-,6-,7-/m1/s1
InChIKey
KAIODGZZEANQLB-FSDSQADBSA-N
Compound name
(3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 135.3
[M+Na]+ 177.09983 140.7
[M-H]- 153.10333 136.1
[M+NH4]+ 172.14443 158.0
[M+K]+ 193.07377 138.5
[M+H-H2O]+ 137.10787 129.6
[M+HCOO]- 199.10881 154.1
[M+CH3COO]- 213.12446 174.6
[M+Na-2H]- 175.08528 136.2
[M]+ 154.11006 128.1
[M]- 154.11116 128.1
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.