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]+ 208.096816 144.2
[M+Na]+ 230.078758 156.0
[M-H]- 206.082264 150.2
[M+NH4]+ 225.123363 157.2
[M+K]+ 246.052698 151.7
[M+H-H2O]+ 190.086800 137.7
[M+HCOO]- 252.087741 165.7
[M+CH3COO]- 266.103391 189.1
[M+Na-2H]- 228.064206 147.3
[M]+ 207.08899142 148.5
[M]- 207.09008858 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.