CID 17996801

4-ethylazepane

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCC1CCCNCC1

InChI

InChI=1S/C8H17N/c1-2-8-4-3-6-9-7-5-8/h8-9H,2-7H2,1H3

InChIKey

TVTNCZUWGNRIOC-UHFFFAOYSA-N

Compound name

4-ethylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 127.1361 Da
Monoisotopic Mass: 2.0
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	124.8
[M+Na]+	150.12532	127.2
[M-H]-	126.12882	125.7
[M+NH4]+	145.16992	143.2
[M+K]+	166.09926	129.6
[M+H-H2O]+	110.13336	119.0
[M+HCOO]-	172.13430	141.8
[M+CH3COO]-	186.14995	172.0
[M+Na-2H]-	148.11077	129.9
[M]+	127.13555	115.8
[M]-	127.13665	115.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe