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

6
Patents

111.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 120.6
[M+Na]+ 134.057628 128.1
[M-H]- 110.061134 121.5
[M+NH4]+ 129.102233 141.5
[M+K]+ 150.031568 126.4
[M+H-H2O]+ 94.065670 115.2
[M+HCOO]- 156.066611 140.9
[M+CH3COO]- 170.082261 165.1
[M+Na-2H]- 132.043076 127.3
[M]+ 111.06786142 116.3
[M]- 111.06895858 116.3
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