CID 83669869

2241138-73-6

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CC1=CC(=C(C(=O)N1)Cl)C
InChI
InChI=1S/C7H8ClNO/c1-4-3-5(2)9-7(10)6(4)8/h3H,1-2H3,(H,9,10)
InChIKey
VVOLQHWZWJMPAJ-UHFFFAOYSA-N
Compound name
3-chloro-4,6-dimethyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

157.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 126.2
[M+Na]+ 180.01865 137.9
[M-H]- 156.02215 128.1
[M+NH4]+ 175.06325 146.9
[M+K]+ 195.99259 133.5
[M+H-H2O]+ 140.02669 121.8
[M+HCOO]- 202.02763 144.4
[M+CH3COO]- 216.04328 173.8
[M+Na-2H]- 178.00410 132.5
[M]+ 157.02888 127.8
[M]- 157.02998 127.8
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