CID 101684727

169777-55-3

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1CC2=C(C=C(C(=O)O2)C#N)C(=O)C1
InChI
InChI=1S/C10H7NO3/c11-5-6-4-7-8(12)2-1-3-9(7)14-10(6)13/h4H,1-3H2
InChIKey
AOOPGVASYVXMMV-UHFFFAOYSA-N
Compound name
2,5-dioxo-7,8-dihydro-6H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04259 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 135.7
[M+Na]+ 212.03181 147.9
[M-H]- 188.03531 140.7
[M+NH4]+ 207.07641 153.5
[M+K]+ 228.00575 144.4
[M+H-H2O]+ 172.03985 123.8
[M+HCOO]- 234.04079 153.8
[M+CH3COO]- 248.05644 193.9
[M+Na-2H]- 210.01726 143.0
[M]+ 189.04204 131.5
[M]- 189.04314 131.5
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.