CID 16258

Carsalam

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=CC=C2C(=C1)C(=O)NC(=O)O2
InChI
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKey
OAYRYNVEFFWSHK-UHFFFAOYSA-N
Compound name
1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

3273
Patents

163.02695 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03423 127.2
[M+Na]+ 186.01617 142.5
[M+NH4]+ 181.06077 135.4
[M+K]+ 201.99011 136.7
[M-H]- 162.01967 130.0
[M+Na-2H]- 184.00162 134.3
[M]+ 163.02640 130.2
[M]- 163.02750 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe