CID 573816

35488-00-7

Structural Information

Molecular Formula
C6H9NO
SMILES
CN1CCC(=O)C=C1
InChI
InChI=1S/C6H9NO/c1-7-4-2-6(8)3-5-7/h2,4H,3,5H2,1H3
InChIKey
FYVXQMLPGIHTKN-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dihydropyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

111.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 119.6
[M+Na]+ 134.05763 127.4
[M-H]- 110.06113 121.8
[M+NH4]+ 129.10223 141.2
[M+K]+ 150.03157 126.7
[M+H-H2O]+ 94.065670 113.9
[M+HCOO]- 156.06661 141.4
[M+CH3COO]- 170.08226 167.8
[M+Na-2H]- 132.04308 126.8
[M]+ 111.06786 117.2
[M]- 111.06896 117.2
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