CID 17998955

816429-58-0

Structural Information

Molecular Formula
C14H20N2
SMILES
C1C[C@H]2CN[C@H](CN2C1)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-13-11-16-8-4-7-14(16)10-15-13/h1-3,5-6,13-15H,4,7-11H2/t13-,14-/m0/s1
InChIKey
FMZYVYGAYTZOHQ-KBPBESRZSA-N
Compound name
(3S,8aS)-3-benzyl-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

0
Patents

216.16264 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 151.5
[M+Na]+ 239.15186 155.9
[M-H]- 215.15536 153.5
[M+NH4]+ 234.19646 168.9
[M+K]+ 255.12580 151.0
[M+H-H2O]+ 199.15990 142.8
[M+HCOO]- 261.16084 166.6
[M+CH3COO]- 275.17649 161.5
[M+Na-2H]- 237.13731 154.4
[M]+ 216.16209 143.8
[M]- 216.16319 143.8
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.