CID 170915875

Methyl 2-(2-fluoropropan-2-yl)pyridine-4-carboxylate

Structural Information

Molecular Formula
C10H12FNO2
SMILES
CC(C)(C1=NC=CC(=C1)C(=O)OC)F
InChI
InChI=1S/C10H12FNO2/c1-10(2,11)8-6-7(4-5-12-8)9(13)14-3/h4-6H,1-3H3
InChIKey
GHZHTYGCLXMCOH-UHFFFAOYSA-N
Compound name
methyl 2-(2-fluoropropan-2-yl)pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09248 140.5
[M+Na]+ 220.07442 149.0
[M-H]- 196.07792 141.8
[M+NH4]+ 215.11902 158.8
[M+K]+ 236.04836 147.7
[M+H-H2O]+ 180.08246 133.5
[M+HCOO]- 242.08340 160.5
[M+CH3COO]- 256.09905 184.5
[M+Na-2H]- 218.05987 146.5
[M]+ 197.08465 141.5
[M]- 197.08575 141.5
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.