CID 3040355

Tributylacetohydroxamic acid

Structural Information

Molecular Formula

C₁₄H₂₉NO₂

SMILES

CCCCC(CCCC)(CCCC)C(=O)NO

InChI

InChI=1S/C14H29NO2/c1-4-7-10-14(11-8-5-2,12-9-6-3)13(16)15-17/h17H,4-12H2,1-3H3,(H,15,16)

InChIKey

SYBUTYMIJPIFDK-UHFFFAOYSA-N

Compound name

2,2-dibutyl-N-hydroxyhexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 243.21983 Da
Monoisotopic Mass: 4.8
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]+	244.22711	165.2
[M+Na]+	266.20905	168.4
[M-H]-	242.21255	162.9
[M+NH4]+	261.25365	182.0
[M+K]+	282.18299	166.3
[M+H-H2O]+	226.21709	159.6
[M+HCOO]-	288.21803	184.0
[M+CH3COO]-	302.23368	197.1
[M+Na-2H]-	264.19450	167.2
[M]+	243.21928	167.8
[M]-	243.22038	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe