CID 110686

5626-64-2

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
1
Annotation Hits

0
References

2
Patents

141.04259 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 126.4
[M+Na]+ 164.03181 135.7
[M+NH4]+ 159.07641 134.4
[M+K]+ 180.00575 135.4
[M-H]- 140.03531 127.2
[M+Na-2H]- 162.01726 127.9
[M]+ 141.04204 127.6
[M]- 141.04314 127.6
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