CID 16079691

847972-74-1

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1CCC(CN1)(C)C

InChI

InChI=1S/C8H17N/c1-7-4-5-8(2,3)6-9-7/h7,9H,4-6H2,1-3H3

InChIKey

KYWACIHIISYYSC-UHFFFAOYSA-N

Compound name

2,5,5-trimethylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 127.1361 Da
Monoisotopic Mass: 1.9
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]+	128.14338	129.2
[M+Na]+	150.12532	135.4
[M-H]-	126.12882	129.8
[M+NH4]+	145.16992	151.6
[M+K]+	166.09926	133.9
[M+H-H2O]+	110.13336	124.3
[M+HCOO]-	172.13430	147.0
[M+CH3COO]-	186.14995	170.1
[M+Na-2H]-	148.11077	134.9
[M]+	127.13555	123.7
[M]-	127.13665	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe