CID 110686

45736-33-2

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1CC2C(=O)OC(=O)N2C1
InChI
InChI=1S/C6H7NO3/c8-5-4-2-1-3-7(4)6(9)10-5/h4H,1-3H2
InChIKey
JNWNBXNPBSVNMU-UHFFFAOYSA-N
Compound name
5,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

141.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 124.6
[M+Na]+ 164.031808 133.7
[M-H]- 140.035314 128.5
[M+NH4]+ 159.076413 148.1
[M+K]+ 180.005748 134.0
[M+H-H2O]+ 124.039850 120.1
[M+HCOO]- 186.040791 145.9
[M+CH3COO]- 200.056441 170.5
[M+Na-2H]- 162.017256 129.1
[M]+ 141.04204142 124.2
[M]- 141.04313858 124.2
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