CID 2735831

2-oxo-2h-chromene-6-carbaldehyde

Structural Information

Molecular Formula
C10H6O3
SMILES
C1=CC2=C(C=CC(=O)O2)C=C1C=O
InChI
InChI=1S/C10H6O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-6H
InChIKey
RQCHYJGDSCWRSQ-UHFFFAOYSA-N
Compound name
2-oxochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

174.0317 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03898 128.7
[M+Na]+ 197.02092 139.7
[M-H]- 173.02442 135.0
[M+NH4]+ 192.06552 149.2
[M+K]+ 212.99486 138.3
[M+H-H2O]+ 157.02896 123.1
[M+HCOO]- 219.02990 153.2
[M+CH3COO]- 233.04555 178.6
[M+Na-2H]- 195.00637 139.4
[M]+ 174.03115 132.2
[M]- 174.03225 132.2
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