CID 11195236

Tert-butyl 2-chloropyridine-3-carboxylate

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CC(C)(C)OC(=O)C1=C(N=CC=C1)Cl
InChI
InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-5-4-6-12-8(7)11/h4-6H,1-3H3
InChIKey
BKRYJISKTILWAE-UHFFFAOYSA-N
Compound name
tert-butyl 2-chloropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

213.05565 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.062926 143.4
[M+Na]+ 236.044868 152.7
[M-H]- 212.048374 146.1
[M+NH4]+ 231.089473 162.1
[M+K]+ 252.018808 149.9
[M+H-H2O]+ 196.052910 138.1
[M+HCOO]- 258.053851 159.9
[M+CH3COO]- 272.069501 184.9
[M+Na-2H]- 234.030316 149.6
[M]+ 213.05510142 147.5
[M]- 213.05619858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe