CID 3021006

2-(1-ethyl-1-methylpropyl)pyridine

Structural Information

Molecular Formula
C11H17N
SMILES
CCC(C)(CC)C1=CC=CC=N1
InChI
InChI=1S/C11H17N/c1-4-11(3,5-2)10-8-6-7-9-12-10/h6-9H,4-5H2,1-3H3
InChIKey
LZBIYSQACJTTQH-UHFFFAOYSA-N
Compound name
2-(3-methylpentan-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

163.1361 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 137.6
[M+Na]+ 186.125318 144.7
[M-H]- 162.128824 139.7
[M+NH4]+ 181.169923 157.3
[M+K]+ 202.099258 142.7
[M+H-H2O]+ 146.133360 131.5
[M+HCOO]- 208.134301 158.7
[M+CH3COO]- 222.149951 180.5
[M+Na-2H]- 184.110766 145.5
[M]+ 163.13555142 138.4
[M]- 163.13664858 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe