CID 5083929

Pyridine, 4-chloro-3-methoxy-2-methyl-, 1-oxide

Structural Information

Molecular Formula
C7H8ClNO2
SMILES
CC1=[N+](C=CC(=C1OC)Cl)[O-]
InChI
InChI=1S/C7H8ClNO2/c1-5-7(11-2)6(8)3-4-9(5)10/h3-4H,1-2H3
InChIKey
TWXMQDRFBLSXFN-UHFFFAOYSA-N
Compound name
4-chloro-3-methoxy-2-methyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

173.02435 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03163 131.4
[M+Na]+ 196.01357 142.2
[M-H]- 172.01707 133.0
[M+NH4]+ 191.05817 151.0
[M+K]+ 211.98751 134.8
[M+H-H2O]+ 156.02161 131.6
[M+HCOO]- 218.02255 150.2
[M+CH3COO]- 232.03820 169.5
[M+Na-2H]- 193.99902 139.4
[M]+ 173.02380 133.2
[M]- 173.02490 133.2
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