CID 13262

6-acetamidocoumarin

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2
InChI
InChI=1S/C11H9NO3/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(14)15-10/h2-6H,1H3,(H,12,13)
InChIKey
UCNNBCBFCASUHR-UHFFFAOYSA-N
Compound name
N-(2-oxochromen-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

13
Patents

203.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 139.1
[M+Na]+ 226.047458 148.4
[M-H]- 202.050964 145.1
[M+NH4]+ 221.092063 157.9
[M+K]+ 242.021398 147.2
[M+H-H2O]+ 186.055500 132.8
[M+HCOO]- 248.056441 163.1
[M+CH3COO]- 262.072091 186.8
[M+Na-2H]- 224.032906 148.2
[M]+ 203.05769142 141.4
[M]- 203.05878858 141.4
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