CID 13092852

39270-45-6

Structural Information

Molecular Formula

C₈H₁₉N₃

SMILES

CN1CCCN(CC1)CCN

InChI

InChI=1S/C8H19N3/c1-10-4-2-5-11(6-3-9)8-7-10/h2-9H2,1H3

InChIKey

DDYKTHJBSBIWNR-UHFFFAOYSA-N

Compound name

2-(4-methyl-1,4-diazepan-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 157.1579 Da
Monoisotopic Mass: -0.5
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]+	158.16518	134.0
[M+Na]+	180.14712	141.7
[M+NH4]+	175.19172	140.9
[M+K]+	196.12106	137.9
[M-H]-	156.15062	134.9
[M+Na-2H]-	178.13257	138.4
[M]+	157.15735	135.0
[M]-	157.15845	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe