CID 114042

63867-73-2

Structural Information

Molecular Formula

C₁₂H₂₃N

SMILES

CCC1=CC(N(C(C1)(C)C)C)(C)C

InChI

InChI=1S/C12H23N/c1-7-10-8-11(2,3)13(6)12(4,5)9-10/h8H,7,9H2,1-6H3

InChIKey

OGPGUQWXWFCVNG-UHFFFAOYSA-N

Compound name

4-ethyl-1,2,2,6,6-pentamethyl-3H-pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 181.18304 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.19032	138.7
[M+Na]+	204.17226	147.5
[M-H]-	180.17576	141.6
[M+NH4]+	199.21686	162.5
[M+K]+	220.14620	146.1
[M+H-H2O]+	164.18030	134.4
[M+HCOO]-	226.18124	158.3
[M+CH3COO]-	240.19689	186.6
[M+Na-2H]-	202.15771	144.1
[M]+	181.18249	139.3
[M]-	181.18359	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe