CID 54129538

3,3,5,5-tetramethylazepane

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC1(CCNCC(C1)(C)C)C

InChI

InChI=1S/C10H21N/c1-9(2)5-6-11-8-10(3,4)7-9/h11H,5-8H2,1-4H3

InChIKey

AZVHSOYMWGRZQQ-UHFFFAOYSA-N

Compound name

3,3,5,5-tetramethylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 155.1674 Da
Monoisotopic Mass: 2.7
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]+	156.17468	130.0
[M+Na]+	178.15662	138.8
[M+NH4]+	173.20122	140.5
[M+K]+	194.13056	131.4
[M-H]-	154.16012	131.2
[M+Na-2H]-	176.14207	137.8
[M]+	155.16685	131.8
[M]-	155.16795	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe