CID 54775527

(3s,8as)-3-ethyloctahydropyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C9H18N2
SMILES
CC[C@H]1CN2CCC[C@H]2CN1
InChI
InChI=1S/C9H18N2/c1-2-8-7-11-5-3-4-9(11)6-10-8/h8-10H,2-7H2,1H3/t8-,9-/m0/s1
InChIKey
VJSUDAXXXXTREH-IUCAKERBSA-N
Compound name
(3S,8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

154.147 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 136.8
[M+Na]+ 177.13622 146.4
[M+NH4]+ 172.18082 145.8
[M+K]+ 193.11016 141.8
[M-H]- 153.13972 137.5
[M+Na-2H]- 175.12167 139.7
[M]+ 154.14645 138.0
[M]- 154.14755 138.0
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