CID 77059093

(r)-7-(pyridin-3-ylmethyl)tetrahydro-1h-oxazolo[3,4-a]pyrazin-3(5h)-one

Structural Information

Molecular Formula
C12H15N3O2
SMILES
C1CN2[C@H](CN1CC3=CN=CC=C3)COC2=O
InChI
InChI=1S/C12H15N3O2/c16-12-15-5-4-14(8-11(15)9-17-12)7-10-2-1-3-13-6-10/h1-3,6,11H,4-5,7-9H2/t11-/m1/s1
InChIKey
NOHIWVZUBVCCHX-LLVKDONJSA-N
Compound name
(8aR)-7-(pyridin-3-ylmethyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 153.1
[M+Na]+ 256.10564 165.3
[M+NH4]+ 251.15024 160.8
[M+K]+ 272.07958 161.1
[M-H]- 232.10914 156.4
[M+Na-2H]- 254.09109 157.8
[M]+ 233.11587 155.6
[M]- 233.11697 155.6
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.