CID 24903582

1807939-68-9

Structural Information

Molecular Formula
C7H13FN2
SMILES
C1CN2C[C@H](C[C@H]2CN1)F
InChI
InChI=1S/C7H13FN2/c8-6-3-7-4-9-1-2-10(7)5-6/h6-7,9H,1-5H2/t6-,7-/m0/s1
InChIKey
GEJVEGQYNKOYPG-BQBZGAKWSA-N
Compound name
(7S,8aS)-7-fluoro-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

144.10628 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.11356 130.7
[M+Na]+ 167.09550 136.8
[M-H]- 143.09900 128.8
[M+NH4]+ 162.14010 151.4
[M+K]+ 183.06944 134.1
[M+H-H2O]+ 127.10354 123.1
[M+HCOO]- 189.10448 145.5
[M+CH3COO]- 203.12013 142.1
[M+Na-2H]- 165.08095 134.5
[M]+ 144.10573 122.0
[M]- 144.10683 122.0
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