CID 40468294

6-acetamidochroman-4-one

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC(=O)NC1=CC2=C(C=C1)OCCC2=O
InChI
InChI=1S/C11H11NO3/c1-7(13)12-8-2-3-11-9(6-8)10(14)4-5-15-11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey
IASWWLNIFLMDBI-UHFFFAOYSA-N
Compound name
N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.0739 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 141.2
[M+Na]+ 228.06312 148.5
[M-H]- 204.06662 146.4
[M+NH4]+ 223.10772 159.7
[M+K]+ 244.03706 147.6
[M+H-H2O]+ 188.07116 135.0
[M+HCOO]- 250.07210 162.3
[M+CH3COO]- 264.08775 187.4
[M+Na-2H]- 226.04857 148.4
[M]+ 205.07335 140.7
[M]- 205.07445 140.7
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

patents stripe