CID 18069811

{2-[(4-methylpentan-2-yl)oxy]pyridin-4-yl}methanamine

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC(C)CC(C)OC1=NC=CC(=C1)CN
InChI
InChI=1S/C12H20N2O/c1-9(2)6-10(3)15-12-7-11(8-13)4-5-14-12/h4-5,7,9-10H,6,8,13H2,1-3H3
InChIKey
VOJHKEXYZCVKSW-UHFFFAOYSA-N
Compound name
[2-(4-methylpentan-2-yloxy)pyridin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.16484 150.6
[M+Na]+ 231.14678 156.3
[M-H]- 207.15028 152.1
[M+NH4]+ 226.19138 167.8
[M+K]+ 247.12072 154.6
[M+H-H2O]+ 191.15482 143.3
[M+HCOO]- 253.15576 171.5
[M+CH3COO]- 267.17141 192.1
[M+Na-2H]- 229.13223 153.3
[M]+ 208.15701 150.9
[M]- 208.15811 150.9
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.