CID 139434

13337-79-6

Structural Information

Molecular Formula
C7H9NO
SMILES
CCN1C=CC=CC1=O
InChI
InChI=1S/C7H9NO/c1-2-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKey
MTSQHZHIEDRSOM-UHFFFAOYSA-N
Compound name
1-ethylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

324
Patents

123.06841 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 120.6
[M+Na]+ 146.05763 130.1
[M-H]- 122.06113 123.4
[M+NH4]+ 141.10223 142.0
[M+K]+ 162.03157 128.7
[M+H-H2O]+ 106.06567 114.7
[M+HCOO]- 168.06661 145.0
[M+CH3COO]- 182.08226 170.2
[M+Na-2H]- 144.04308 129.4
[M]+ 123.06786 121.5
[M]- 123.06896 121.5
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