CID 24903583

1305712-21-3

Structural Information

Molecular Formula
C7H12F2N2
SMILES
C1CN2CC(C[C@H]2CN1)(F)F
InChI
InChI=1S/C7H12F2N2/c8-7(9)3-6-4-10-1-2-11(6)5-7/h6,10H,1-5H2/t6-/m0/s1
InChIKey
WRZOXGCZOWTRIE-LURJTMIESA-N
Compound name
(8aS)-7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

162.09685 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.10413 133.1
[M+Na]+ 185.08607 140.2
[M-H]- 161.08957 130.2
[M+NH4]+ 180.13067 155.1
[M+K]+ 201.06001 137.3
[M+H-H2O]+ 145.09411 125.1
[M+HCOO]- 207.09505 146.9
[M+CH3COO]- 221.11070 144.3
[M+Na-2H]- 183.07152 137.3
[M]+ 162.09630 123.6
[M]- 162.09740 123.6
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.