CID 110478

68532-86-5

Structural Information

Molecular Formula
C11H11N2O2
SMILES
CC1=CC(=O)NC(=C1[N+]2=CC=CC=C2)O
InChI
InChI=1S/C11H10N2O2/c1-8-7-9(14)12-11(15)10(8)13-5-3-2-4-6-13/h2-7H,1H3,(H-,12,14,15)/p+1
InChIKey
HYBSZKBDXBJNKG-UHFFFAOYSA-O
Compound name
6-hydroxy-4-methyl-5-pyridin-1-ium-1-yl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

203.08205 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08933 143.9
[M+Na]+ 226.07127 153.8
[M-H]- 202.07477 146.6
[M+NH4]+ 221.11587 159.0
[M+K]+ 242.04521 143.4
[M+H-H2O]+ 186.07931 139.0
[M+HCOO]- 248.08025 163.9
[M+CH3COO]- 262.09590 173.1
[M+Na-2H]- 224.05672 152.9
[M]+ 203.08150 141.3
[M]- 203.08260 141.3
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