CID 211905

23723-44-6

Structural Information

Molecular Formula
C11H14FNO2
SMILES
CC(C)(C)C(=O)OCC1=CC(=CN=C1)F
InChI
InChI=1S/C11H14FNO2/c1-11(2,3)10(14)15-7-8-4-9(12)6-13-5-8/h4-6H,7H2,1-3H3
InChIKey
RNVUEHVJYAHILP-UHFFFAOYSA-N
Compound name
(5-fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10086 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10814 145.4
[M+Na]+ 234.09008 153.6
[M-H]- 210.09358 146.7
[M+NH4]+ 229.13468 163.3
[M+K]+ 250.06402 152.0
[M+H-H2O]+ 194.09812 138.3
[M+HCOO]- 256.09906 165.1
[M+CH3COO]- 270.11471 186.8
[M+Na-2H]- 232.07553 150.9
[M]+ 211.10031 146.8
[M]- 211.10141 146.8
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.