CID 70942

3,3-dimethylpiperidine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC1(CCCNC1)C

InChI

InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3

InChIKey

CDODDZJCEADUQQ-UHFFFAOYSA-N

Compound name

3,3-dimethylpiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 2505
Patents: 113.12045 Da
Monoisotopic Mass: 1.5
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]+	114.127726	125.6
[M+Na]+	136.109668	131.2
[M-H]-	112.113174	125.9
[M+NH4]+	131.154273	148.2
[M+K]+	152.083608	130.0
[M+H-H2O]+	96.117710	120.6
[M+HCOO]-	158.118651	143.7
[M+CH3COO]-	172.134301	165.9
[M+Na-2H]-	134.095116	132.5
[M]+	113.11990142	119.4
[M]-	113.12099858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe