CID 3252045

170996-75-5

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1=C(OC2=C1C(=O)NC=C2)C
InChI
InChI=1S/C9H9NO2/c1-5-6(2)12-7-3-4-10-9(11)8(5)7/h3-4H,1-2H3,(H,10,11)
InChIKey
WYJVXOSPQJITJP-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5H-furo[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 128.5
[M+Na]+ 186.05254 141.2
[M-H]- 162.05604 132.7
[M+NH4]+ 181.09714 149.8
[M+K]+ 202.02648 138.8
[M+H-H2O]+ 146.06058 123.5
[M+HCOO]- 208.06152 152.2
[M+CH3COO]- 222.07717 175.2
[M+Na-2H]- 184.03799 136.7
[M]+ 163.06277 132.1
[M]- 163.06387 132.1
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

No patent data available for this compound.