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]+ 152.03423 124.3
[M+Na]+ 174.01617 134.3
[M-H]- 150.01967 128.6
[M+NH4]+ 169.06077 145.9
[M+K]+ 189.99011 133.9
[M+H-H2O]+ 134.02421 119.0
[M+HCOO]- 196.02515 146.2
[M+CH3COO]- 210.04080 172.7
[M+Na-2H]- 172.00162 131.8
[M]+ 151.02640 125.0
[M]- 151.02750 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.