CID 131699476

Tert-butyl 6-chloro-5-methylnicotinate

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
CC1=CC(=CN=C1Cl)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H14ClNO2/c1-7-5-8(6-13-9(7)12)10(14)15-11(2,3)4/h5-6H,1-4H3
InChIKey
BJEUHHHLWIOXOU-UHFFFAOYSA-N
Compound name
tert-butyl 6-chloro-5-methylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0713 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 147.3
[M+Na]+ 250.06052 157.1
[M-H]- 226.06402 150.2
[M+NH4]+ 245.10512 165.8
[M+K]+ 266.03446 154.1
[M+H-H2O]+ 210.06856 142.1
[M+HCOO]- 272.06950 163.5
[M+CH3COO]- 286.08515 189.1
[M+Na-2H]- 248.04597 152.3
[M]+ 227.07075 152.1
[M]- 227.07185 152.1
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.