CID 96738629

Rac-1-[(3ar,7as)-octahydro-1h-pyrrolo[3,2-c]pyridin-5-yl]ethan-1-one

Structural Information

Molecular Formula
C9H16N2O
SMILES
CC(=O)N1CC[C@@H]2[C@H](C1)CCN2
InChI
InChI=1S/C9H16N2O/c1-7(12)11-5-3-9-8(6-11)2-4-10-9/h8-10H,2-6H2,1H3/t8-,9+/m0/s1
InChIKey
OCISJILEPARCKJ-DTWKUNHWSA-N
Compound name
1-[(3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.12627 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 139.9
[M+Na]+ 191.115488 145.1
[M-H]- 167.118994 139.2
[M+NH4]+ 186.160093 159.6
[M+K]+ 207.089428 142.8
[M+H-H2O]+ 151.123530 133.1
[M+HCOO]- 213.124471 154.5
[M+CH3COO]- 227.140121 175.4
[M+Na-2H]- 189.100936 142.0
[M]+ 168.12572142 133.1
[M]- 168.12681858 133.1
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.