CID 60126599

4-tert-butyl-2-chloro-6-methylpyridine

Structural Information

Molecular Formula
C10H14ClN
SMILES
CC1=CC(=CC(=N1)Cl)C(C)(C)C
InChI
InChI=1S/C10H14ClN/c1-7-5-8(10(2,3)4)6-9(11)12-7/h5-6H,1-4H3
InChIKey
NDFAGCJEPICROW-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-chloro-6-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

183.08148 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08876 138.1
[M+Na]+ 206.07070 148.4
[M-H]- 182.07420 140.9
[M+NH4]+ 201.11530 158.5
[M+K]+ 222.04464 144.6
[M+H-H2O]+ 166.07874 133.2
[M+HCOO]- 228.07968 154.9
[M+CH3COO]- 242.09533 182.9
[M+Na-2H]- 204.05615 144.7
[M]+ 183.08093 141.0
[M]- 183.08203 141.0
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