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

14
Patents

157.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 126.2
[M+Na]+ 180.018648 137.9
[M-H]- 156.022154 128.1
[M+NH4]+ 175.063253 146.9
[M+K]+ 195.992588 133.5
[M+H-H2O]+ 140.026690 121.8
[M+HCOO]- 202.027631 144.4
[M+CH3COO]- 216.043281 173.8
[M+Na-2H]- 178.004096 132.5
[M]+ 157.02888142 127.8
[M]- 157.02997858 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