CID 154853451

2445785-21-5

Structural Information

Molecular Formula
C11H13FN2O4
SMILES
CC(C)(C)OC(=O)NC1=CN=CC(=C1C(=O)O)F
InChI
InChI=1S/C11H13FN2O4/c1-11(2,3)18-10(17)14-7-5-13-4-6(12)8(7)9(15)16/h4-5H,1-3H3,(H,14,17)(H,15,16)
InChIKey
AGZUHEHJGQIDFH-UHFFFAOYSA-N
Compound name
3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08594 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09322 154.3
[M+Na]+ 279.07516 161.9
[M-H]- 255.07866 154.5
[M+NH4]+ 274.11976 169.2
[M+K]+ 295.04910 160.5
[M+H-H2O]+ 239.08320 147.0
[M+HCOO]- 301.08414 173.2
[M+CH3COO]- 315.09979 194.1
[M+Na-2H]- 277.06061 157.9
[M]+ 256.08539 154.8
[M]- 256.08649 154.8
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.