CID 21479113

4,4-dimethylazepane

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1(CCCNCC1)C

InChI

InChI=1S/C8H17N/c1-8(2)4-3-6-9-7-5-8/h9H,3-7H2,1-2H3

InChIKey

UVGRQCORQQWAMY-UHFFFAOYSA-N

Compound name

4,4-dimethylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 127.1361 Da
Monoisotopic Mass: 1.8
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	124.6
[M+Na]+	150.12532	133.4
[M+NH4]+	145.16992	134.1
[M+K]+	166.09926	127.5
[M-H]-	126.12882	125.9
[M+Na-2H]-	148.11077	131.5
[M]+	127.13555	126.3
[M]-	127.13665	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe