CID 34178425

(5s)-5-methyl-1,4-diazepane dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C[C@@H]1CCNCCN1

InChI

InChI=1S/C6H14N2/c1-6-2-3-7-4-5-8-6/h6-8H,2-5H2,1H3/t6-/m1/s1

InChIKey

PCSCFJLGJHWKJL-ZCFIWIBFSA-N

Compound name

(5R)-5-methyl-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 114.1157 Da
Monoisotopic Mass: -0.1
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]+	115.12298	122.2
[M+Na]+	137.10492	130.4
[M+NH4]+	132.14952	129.4
[M+K]+	153.07886	126.8
[M-H]-	113.10842	122.1
[M+Na-2H]-	135.09037	127.0
[M]+	114.11515	123.0
[M]-	114.11625	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe