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

3511
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 125.7
[M+Na]+ 186.01617 137.1
[M-H]- 162.01967 129.3
[M+NH4]+ 181.06077 144.5
[M+K]+ 201.99011 134.9
[M+H-H2O]+ 146.02421 119.6
[M+HCOO]- 208.02515 147.9
[M+CH3COO]- 222.04080 172.7
[M+Na-2H]- 184.00162 136.8
[M]+ 163.02640 127.1
[M]- 163.02750 127.1
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