CID 9877446

4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CC1=C(C=C[N+](=C1C)[O-])Cl
InChI
InChI=1S/C7H8ClNO/c1-5-6(2)9(10)4-3-7(5)8/h3-4H,1-2H3
InChIKey
MCUYHRNUDDANSO-UHFFFAOYSA-N
Compound name
4-chloro-2,3-dimethyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

235
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 128.0
[M+Na]+ 180.018648 139.0
[M-H]- 156.022154 129.6
[M+NH4]+ 175.063253 148.3
[M+K]+ 195.992588 131.1
[M+H-H2O]+ 140.026690 128.5
[M+HCOO]- 202.027631 146.6
[M+CH3COO]- 216.043281 167.6
[M+Na-2H]- 178.004096 136.0
[M]+ 157.02888142 128.5
[M]- 157.02997858 128.5
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