CID 137838457

1h,3h,4h-pyrrolo[2,1-c][1,4]oxazine-1,3-dione

Structural Information

Molecular Formula
C7H5NO3
SMILES
C1C(=O)OC(=O)C2=CC=CN21
InChI
InChI=1S/C7H5NO3/c9-6-4-8-3-1-2-5(8)7(10)11-6/h1-3H,4H2
InChIKey
BUEFEPGXIYXLQZ-UHFFFAOYSA-N
Compound name
4H-pyrrolo[2,1-c][1,4]oxazine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.02695 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.034226 124.3
[M+Na]+ 174.016168 134.3
[M-H]- 150.019674 128.6
[M+NH4]+ 169.060773 145.9
[M+K]+ 189.990108 133.9
[M+H-H2O]+ 134.024210 119.0
[M+HCOO]- 196.025151 146.2
[M+CH3COO]- 210.040801 172.7
[M+Na-2H]- 172.001616 131.8
[M]+ 151.02640142 125.0
[M]- 151.02749858 125.0
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

No patent data available for this compound.