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
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 124.6
[M+Na]+ 164.03181 133.7
[M-H]- 140.03531 128.5
[M+NH4]+ 159.07641 148.1
[M+K]+ 180.00575 134.0
[M+H-H2O]+ 124.03985 120.1
[M+HCOO]- 186.04079 145.9
[M+CH3COO]- 200.05644 170.5
[M+Na-2H]- 162.01726 129.1
[M]+ 141.04204 124.2
[M]- 141.04314 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