CID 487773

4-amino-3-methyl-1,3-dihydro-2-benzofuran-1-one

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1C2=C(C=CC=C2N)C(=O)O1
InChI
InChI=1S/C9H9NO2/c1-5-8-6(9(11)12-5)3-2-4-7(8)10/h2-5H,10H2,1H3
InChIKey
OLARWMMQYDRQHZ-UHFFFAOYSA-N
Compound name
4-amino-3-methyl-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 130.5
[M+Na]+ 186.05254 140.5
[M-H]- 162.05604 136.1
[M+NH4]+ 181.09714 152.9
[M+K]+ 202.02648 139.1
[M+H-H2O]+ 146.06058 125.7
[M+HCOO]- 208.06152 154.4
[M+CH3COO]- 222.07717 179.8
[M+Na-2H]- 184.03799 136.7
[M]+ 163.06277 130.8
[M]- 163.06387 130.8
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.