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

38
Patents

162.09685 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.104126 133.1
[M+Na]+ 185.086068 140.2
[M-H]- 161.089574 130.2
[M+NH4]+ 180.130673 155.1
[M+K]+ 201.060008 137.3
[M+H-H2O]+ 145.094110 125.1
[M+HCOO]- 207.095051 146.9
[M+CH3COO]- 221.110701 144.3
[M+Na-2H]- 183.071516 137.3
[M]+ 162.09630142 123.6
[M]- 162.09739858 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

patents stripe