CID 129915179

2-tert-butyl-5-(chloromethyl)pyridine

Structural Information

Molecular Formula
C10H14ClN
SMILES
CC(C)(C)C1=NC=C(C=C1)CCl
InChI
InChI=1S/C10H14ClN/c1-10(2,3)9-5-4-8(6-11)7-12-9/h4-5,7H,6H2,1-3H3
InChIKey
IUBLBGCANAKCGM-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08148 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08876 138.8
[M+Na]+ 206.07070 148.1
[M-H]- 182.07420 141.3
[M+NH4]+ 201.11530 158.9
[M+K]+ 222.04464 144.4
[M+H-H2O]+ 166.07874 133.6
[M+HCOO]- 228.07968 155.6
[M+CH3COO]- 242.09533 181.7
[M+Na-2H]- 204.05615 146.1
[M]+ 183.08093 141.3
[M]- 183.08203 141.3
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

No patent data available for this compound.