CID 42609119

4-methyl-1,4-oxazepan-6-amine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CN1CCOCC(C1)N

InChI

InChI=1S/C6H14N2O/c1-8-2-3-9-5-6(7)4-8/h6H,2-5,7H2,1H3

InChIKey

LHDGPYWEWPDORQ-UHFFFAOYSA-N

Compound name

4-methyl-1,4-oxazepan-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.11061 Da
Monoisotopic Mass: -1.0
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]+	131.11789	123.0
[M+Na]+	153.09983	126.8
[M-H]-	129.10333	126.0
[M+NH4]+	148.14443	140.5
[M+K]+	169.07377	131.6
[M+H-H2O]+	113.10787	116.4
[M+HCOO]-	175.10881	141.8
[M+CH3COO]-	189.12446	175.4
[M+Na-2H]-	151.08528	129.0
[M]+	130.11006	115.7
[M]-	130.11116	115.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.