CID 130754623

(6-methyl-1,4-oxazepan-6-yl)methanol

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC1(CNCCOC1)CO

InChI

InChI=1S/C7H15NO2/c1-7(5-9)4-8-2-3-10-6-7/h8-9H,2-6H2,1H3

InChIKey

KPQBQUGGWHUPPE-UHFFFAOYSA-N

Compound name

(6-methyl-1,4-oxazepan-6-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 145.11028 Da
Monoisotopic Mass: -0.6
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]+	146.117556	126.9
[M+Na]+	168.099498	130.1
[M-H]-	144.103004	127.5
[M+NH4]+	163.144103	144.5
[M+K]+	184.073438	133.5
[M+H-H2O]+	128.107540	121.3
[M+HCOO]-	190.108481	142.3
[M+CH3COO]-	204.124131	169.9
[M+Na-2H]-	166.084946	133.8
[M]+	145.10973142	119.2
[M]-	145.11082858	119.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe