CID 25112

N-hexylbutyramide

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CCCCCCNC(=O)CCC

InChI

InChI=1S/C10H21NO/c1-3-5-6-7-9-11-10(12)8-4-2/h3-9H2,1-2H3,(H,11,12)

InChIKey

YRVDTEDFGDNSLD-UHFFFAOYSA-N

Compound name

N-hexylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 171.16231 Da
Monoisotopic Mass: 2.7
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]+	172.16959	142.7
[M+Na]+	194.15153	151.4
[M+NH4]+	189.19613	149.9
[M+K]+	210.12547	145.1
[M-H]-	170.15503	142.4
[M+Na-2H]-	192.13698	145.5
[M]+	171.16176	143.5
[M]-	171.16286	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe