CID 86323670

(3s)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
C1CN(C[C@H]1O)C2=CN=CC(=N2)Cl
InChI
InChI=1S/C8H10ClN3O/c9-7-3-10-4-8(11-7)12-2-1-6(13)5-12/h3-4,6,13H,1-2,5H2/t6-/m0/s1
InChIKey
XEFKCMOGRCBXAO-LURJTMIESA-N
Compound name
(3S)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.05124 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05852 140.7
[M+Na]+ 222.04046 149.8
[M-H]- 198.04396 141.9
[M+NH4]+ 217.08506 157.8
[M+K]+ 238.01440 145.5
[M+H-H2O]+ 182.04850 132.6
[M+HCOO]- 244.04944 154.9
[M+CH3COO]- 258.06509 152.8
[M+Na-2H]- 220.02591 144.6
[M]+ 199.05069 139.2
[M]- 199.05179 139.2
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.