CID 9877446

59886-90-7

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
1
Annotation Hits

0
References

134
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 126.6
[M+Na]+ 180.01865 143.8
[M+NH4]+ 175.06325 136.6
[M+K]+ 195.99259 138.3
[M-H]- 156.02215 130.1
[M+Na-2H]- 178.00410 134.5
[M]+ 157.02888 130.5
[M]- 157.02998 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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