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 139.9
[M+Na]+ 191.11549 145.1
[M-H]- 167.11899 139.2
[M+NH4]+ 186.16009 159.6
[M+K]+ 207.08943 142.8
[M+H-H2O]+ 151.12353 133.1
[M+HCOO]- 213.12447 154.5
[M+CH3COO]- 227.14012 175.4
[M+Na-2H]- 189.10094 142.0
[M]+ 168.12572 133.1
[M]- 168.12682 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.