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]+	131.117886	123.0
[M+Na]+	153.099828	126.8
[M-H]-	129.103334	126.0
[M+NH4]+	148.144433	140.5
[M+K]+	169.073768	131.6
[M+H-H2O]+	113.107870	116.4
[M+HCOO]-	175.108811	141.8
[M+CH3COO]-	189.124461	175.4
[M+Na-2H]-	151.085276	129.0
[M]+	130.11006142	115.7
[M]-	130.11115858	115.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.