CID 3038420

Brn 1387881

Structural Information

Molecular Formula
C11H8N2O5
SMILES
CC1=CC(=CC2=C1OC(=CC2=O)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O5/c1-5-2-6(13(16)17)3-7-8(14)4-9(11(12)15)18-10(5)7/h2-4H,1H3,(H2,12,15)
InChIKey
WFVBLALXGJBJTP-UHFFFAOYSA-N
Compound name
8-methyl-6-nitro-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05060 147.9
[M+Na]+ 271.03254 157.0
[M-H]- 247.03604 153.7
[M+NH4]+ 266.07714 163.7
[M+K]+ 287.00648 151.7
[M+H-H2O]+ 231.04058 145.9
[M+HCOO]- 293.04152 172.0
[M+CH3COO]- 307.05717 190.5
[M+Na-2H]- 269.01799 155.9
[M]+ 248.04277 148.8
[M]- 248.04387 148.8
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.