CID 178244338

3-methyl-1-oxido-4,5-dihydro-3h-pyridin-1-ium-2-one

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1CCC=[N+](C1=O)[O-]
InChI
InChI=1S/C6H9NO2/c1-5-3-2-4-7(9)6(5)8/h4-5H,2-3H2,1H3
InChIKey
YJWXNAKLIGFEDL-UHFFFAOYSA-N
Compound name
3-methyl-1-oxido-4,5-dihydro-3H-pyridin-1-ium-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 123.6
[M+Na]+ 150.052548 131.9
[M-H]- 126.056054 124.9
[M+NH4]+ 145.097153 143.8
[M+K]+ 166.026488 126.3
[M+H-H2O]+ 110.060590 123.2
[M+HCOO]- 172.061531 144.8
[M+CH3COO]- 186.077181 161.0
[M+Na-2H]- 148.037996 131.5
[M]+ 127.06278142 119.4
[M]- 127.06387858 119.4
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

No patent data available for this compound.