CID 5393172

2829-46-1

Structural Information

Molecular Formula
C11H7NO3
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)O)C#N
InChI
InChI=1S/C11H7NO3/c1-6-8-3-2-7(13)4-10(8)15-11(14)9(6)5-12/h2-4,13H,1H3
InChIKey
GLGBPOSQDAZSIZ-UHFFFAOYSA-N
Compound name
7-hydroxy-4-methyl-2-oxochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

101
Patents

201.04259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04987 141.3
[M+Na]+ 224.03181 154.9
[M-H]- 200.03531 145.7
[M+NH4]+ 219.07641 158.5
[M+K]+ 240.00575 151.0
[M+H-H2O]+ 184.03985 129.4
[M+HCOO]- 246.04079 160.0
[M+CH3COO]- 260.05644 195.6
[M+Na-2H]- 222.01726 148.5
[M]+ 201.04204 139.2
[M]- 201.04314 139.2
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