CID 13602

2-picoline-n-oxide

Structural Information

Molecular Formula
C6H7NO
SMILES
CC1=CC=CC=[N+]1[O-]
InChI
InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey
CFZKDDTWZYUZKS-UHFFFAOYSA-N
Compound name
2-methyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1707
Patents

109.052765 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 116.9
[M+Na]+ 132.04198 132.8
[M+NH4]+ 127.08659 126.8
[M+K]+ 148.01592 128.0
[M-H]- 108.04549 120.3
[M+Na-2H]- 130.02743 125.4
[M]+ 109.05222 120.2
[M]- 109.05331 120.2
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