CID 84768944

1782433-31-1

Structural Information

Molecular Formula
C9H10FNO2
SMILES
CC(C)(C1=NC=CC(=C1)C(=O)O)F
InChI
InChI=1S/C9H10FNO2/c1-9(2,10)7-5-6(8(12)13)3-4-11-7/h3-5H,1-2H3,(H,12,13)
InChIKey
DQVCCKMPXZEJCM-UHFFFAOYSA-N
Compound name
2-(2-fluoropropan-2-yl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

183.06955 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 136.3
[M+Na]+ 206.05877 144.8
[M-H]- 182.06227 136.4
[M+NH4]+ 201.10337 154.4
[M+K]+ 222.03271 142.7
[M+H-H2O]+ 166.06681 129.8
[M+HCOO]- 228.06775 155.2
[M+CH3COO]- 242.08340 179.5
[M+Na-2H]- 204.04422 142.4
[M]+ 183.06900 135.2
[M]- 183.07010 135.2
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