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

12
Patents

243.06622 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 150.2
[M+Na]+ 266.05544 159.9
[M-H]- 242.05894 153.1
[M+NH4]+ 261.10004 167.9
[M+K]+ 282.02938 157.5
[M+H-H2O]+ 226.06348 144.8
[M+HCOO]- 288.06442 166.6
[M+CH3COO]- 302.08007 191.1
[M+Na-2H]- 264.04089 155.3
[M]+ 243.06567 156.5
[M]- 243.06677 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