CID 96738628

2375248-29-4

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+/m1/s1
InChIKey
OCISJILEPARCKJ-BDAKNGLRSA-N
Compound name
1-[(3aR,7aS)-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]+ 169.13355 139.4
[M+Na]+ 191.11549 148.3
[M+NH4]+ 186.16009 147.5
[M+K]+ 207.08943 144.9
[M-H]- 167.11899 139.2
[M+Na-2H]- 189.10094 141.4
[M]+ 168.12572 140.2
[M]- 168.12682 140.2
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.