CID 58567096

Tert-butyl 6-methylpyridine-2-carboxylate

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1=NC(=CC=C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H15NO2/c1-8-6-5-7-9(12-8)10(13)14-11(2,3)4/h5-7H,1-4H3
InChIKey
BFIIPOFZJLTWMH-UHFFFAOYSA-N
Compound name
tert-butyl 6-methylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

193.11028 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 142.4
[M+Na]+ 216.09950 150.6
[M-H]- 192.10300 145.1
[M+NH4]+ 211.14410 161.1
[M+K]+ 232.07344 149.5
[M+H-H2O]+ 176.10754 136.4
[M+HCOO]- 238.10848 163.3
[M+CH3COO]- 252.12413 184.1
[M+Na-2H]- 214.08495 148.6
[M]+ 193.10973 145.0
[M]- 193.11083 145.0
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