CID 22562207

Hexahydro-oxazolo[3,4-a]pyrazin-3-one hydrochloride

Structural Information

Molecular Formula
C6H10N2O2
SMILES
C1CN2C(CN1)COC2=O
InChI
InChI=1S/C6H10N2O2/c9-6-8-2-1-7-3-5(8)4-10-6/h5,7H,1-4H2
InChIKey
SWKVQJQPSGTEBD-UHFFFAOYSA-N
Compound name
1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

142.07423 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 127.8
[M+Na]+ 165.06345 134.6
[M-H]- 141.06695 128.1
[M+NH4]+ 160.10805 147.2
[M+K]+ 181.03739 133.9
[M+H-H2O]+ 125.07149 121.4
[M+HCOO]- 187.07243 143.8
[M+CH3COO]- 201.08808 140.2
[M+Na-2H]- 163.04890 133.6
[M]+ 142.07368 122.7
[M]- 142.07478 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe