CID 54775527

1046788-80-0

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 137.4
[M+Na]+ 177.13622 142.6
[M-H]- 153.13972 136.5
[M+NH4]+ 172.18082 157.8
[M+K]+ 193.11016 139.9
[M+H-H2O]+ 137.14426 130.4
[M+HCOO]- 199.14520 152.6
[M+CH3COO]- 213.16085 148.5
[M+Na-2H]- 175.12167 140.7
[M]+ 154.14645 130.5
[M]- 154.14755 130.5
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