CID 118555788

1588503-31-4

Structural Information

Molecular Formula
C6H10N2O2
SMILES
C1CNC[C@H]2[C@@H]1NC(=O)O2
InChI
InChI=1S/C6H10N2O2/c9-6-8-4-1-2-7-3-5(4)10-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m1/s1
InChIKey
JCJXPQUDQXMSLG-UHNVWZDZSA-N
Compound name
(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

142.07423 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.08151 128.6
[M+Na]+ 165.06345 134.9
[M-H]- 141.06695 127.5
[M+NH4]+ 160.10805 147.3
[M+K]+ 181.03739 133.3
[M+H-H2O]+ 125.07149 122.4
[M+HCOO]- 187.07243 143.0
[M+CH3COO]- 201.08808 140.3
[M+Na-2H]- 163.04890 133.9
[M]+ 142.07368 121.7
[M]- 142.07478 121.7
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.