CID 70502

1124-69-2

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CC1(CC=CC(N1)(C)C)C

InChI

InChI=1S/C9H17N/c1-8(2)6-5-7-9(3,4)10-8/h5-6,10H,7H2,1-4H3

InChIKey

ZYDUNXCLPOKBNQ-UHFFFAOYSA-N

Compound name

2,2,6,6-tetramethyl-1,3-dihydropyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 920
Patents: 139.1361 Da
Monoisotopic Mass: 1.7
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]+	140.14338	129.8
[M+Na]+	162.12532	137.6
[M-H]-	138.12882	131.1
[M+NH4]+	157.16992	153.9
[M+K]+	178.09926	135.9
[M+H-H2O]+	122.13336	125.6
[M+HCOO]-	184.13430	148.8
[M+CH3COO]-	198.14995	172.5
[M+Na-2H]-	160.11077	137.3
[M]+	139.13555	126.6
[M]-	139.13665	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe