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]+ 143.081506 128.5
[M+Na]+ 165.063448 137.0
[M-H]- 141.066954 129.6
[M+NH4]+ 160.108053 150.1
[M+K]+ 181.037388 136.5
[M+H-H2O]+ 125.071490 123.1
[M+HCOO]- 187.072431 146.6
[M+CH3COO]- 201.088081 169.5
[M+Na-2H]- 163.048896 132.0
[M]+ 142.07368142 126.0
[M]- 142.07477858 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