CID 62239361

2-(tert-butoxy)-6-(chloromethyl)pyridine

Structural Information

Molecular Formula
C10H14ClNO
SMILES
CC(C)(C)OC1=CC=CC(=N1)CCl
InChI
InChI=1S/C10H14ClNO/c1-10(2,3)13-9-6-4-5-8(7-11)12-9/h4-6H,7H2,1-3H3
InChIKey
RZTDOXMYXZBOJT-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-[(2-methylpropan-2-yl)oxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07639 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08367 142.1
[M+Na]+ 222.06561 151.4
[M-H]- 198.06911 144.6
[M+NH4]+ 217.11021 161.5
[M+K]+ 238.03955 148.1
[M+H-H2O]+ 182.07365 136.7
[M+HCOO]- 244.07459 159.1
[M+CH3COO]- 258.09024 183.7
[M+Na-2H]- 220.05106 149.4
[M]+ 199.07584 146.1
[M]- 199.07694 146.1
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.