CID 57931350

Rac-(3ar,6as)-3-methyl-hexahydro-2h-pyrrolo[3,4-d][1,3]oxazol-2-one hydrochloride

Structural Information

Molecular Formula
C6H10N2O2
SMILES
CN1[C@@H]2CNC[C@@H]2OC1=O
InChI
InChI=1S/C6H10N2O2/c1-8-4-2-7-3-5(4)10-6(8)9/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1
InChIKey
GQNNOWYTIBDIBQ-UHNVWZDZSA-N
Compound name
(3aR,6aS)-3-methyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

142.07423 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 128.5
[M+Na]+ 165.06345 137.0
[M-H]- 141.06695 129.6
[M+NH4]+ 160.10805 150.1
[M+K]+ 181.03739 136.5
[M+H-H2O]+ 125.07149 123.1
[M+HCOO]- 187.07243 146.6
[M+CH3COO]- 201.08808 169.5
[M+Na-2H]- 163.04890 132.0
[M]+ 142.07368 126.0
[M]- 142.07478 126.0
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