CID 49657928

1219828-20-2

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC(=O)N1CCCC(CC1)O

InChI

InChI=1S/C8H15NO2/c1-7(10)9-5-2-3-8(11)4-6-9/h8,11H,2-6H2,1H3

InChIKey

YHRVKYMONALYSB-UHFFFAOYSA-N

Compound name

1-(4-hydroxyazepan-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 157.11028 Da
Monoisotopic Mass: 0.0
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]+	158.117556	128.9
[M+Na]+	180.099498	132.4
[M-H]-	156.103004	130.4
[M+NH4]+	175.144103	146.4
[M+K]+	196.073438	135.9
[M+H-H2O]+	140.107540	123.2
[M+HCOO]-	202.108481	145.8
[M+CH3COO]-	216.124131	176.1
[M+Na-2H]-	178.084946	132.3
[M]+	157.10973142	121.7
[M]-	157.11082858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe