CID 121269748

Tert-butyl 6-chloro-4-methoxypyridine-3-carboxylate

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
CC(C)(C)OC(=O)C1=CN=C(C=C1OC)Cl
InChI
InChI=1S/C11H14ClNO3/c1-11(2,3)16-10(14)7-6-13-9(12)5-8(7)15-4/h5-6H,1-4H3
InChIKey
BZTRPJCMSLEOPO-UHFFFAOYSA-N
Compound name
tert-butyl 6-chloro-4-methoxypyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

243.06622 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.073496 150.2
[M+Na]+ 266.055438 159.9
[M-H]- 242.058944 153.1
[M+NH4]+ 261.100043 167.9
[M+K]+ 282.029378 157.5
[M+H-H2O]+ 226.063480 144.8
[M+HCOO]- 288.064421 166.6
[M+CH3COO]- 302.080071 191.1
[M+Na-2H]- 264.040886 155.3
[M]+ 243.06567142 156.5
[M]- 243.06676858 156.5
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

patents stripe