CID 60727884

1247750-97-5

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC1=CC(=O)N(C(=C1C(=O)O)C)C2CC2
InChI
InChI=1S/C11H13NO3/c1-6-5-9(13)12(8-3-4-8)7(2)10(6)11(14)15/h5,8H,3-4H2,1-2H3,(H,14,15)
InChIKey
UUNSWCXBTFCIJN-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.2
[M+Na]+ 230.07876 156.0
[M-H]- 206.08226 150.2
[M+NH4]+ 225.12336 157.2
[M+K]+ 246.05270 151.7
[M+H-H2O]+ 190.08680 137.7
[M+HCOO]- 252.08774 165.7
[M+CH3COO]- 266.10339 189.1
[M+Na-2H]- 228.06421 147.3
[M]+ 207.08899 148.5
[M]- 207.09009 148.5
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.