CID 10953453

34697-37-5

Structural Information

Molecular Formula
C6H9NO
SMILES
CC1CC(=O)C=CN1
InChI
InChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h2-3,5,7H,4H2,1H3
InChIKey
YDYIQSNDNIDHTG-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydro-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

111.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 121.4
[M+Na]+ 134.05763 133.3
[M+NH4]+ 129.10223 130.0
[M+K]+ 150.03157 127.4
[M-H]- 110.06113 122.5
[M+Na-2H]- 132.04308 127.3
[M]+ 111.06786 123.2
[M]- 111.06896 123.2
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

patents stripe