CID 90844

22811-21-8

Structural Information

Molecular Formula

C₁₆H₃₃NO₂

SMILES

CCCCCCC(CCCC)(C(=NO)CCCC)O

InChI

InChI=1S/C16H33NO2/c1-4-7-10-11-14-16(18,13-9-6-3)15(17-19)12-8-5-2/h18-19H,4-14H2,1-3H3

InChIKey

ZNEIASKWUMVQPU-UHFFFAOYSA-N

Compound name

6-butyl-5-hydroxyiminododecan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 271.25113 Da
Monoisotopic Mass: 5.4
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]+	272.25841	174.2
[M+Na]+	294.24035	176.5
[M-H]-	270.24385	171.5
[M+NH4]+	289.28495	189.8
[M+K]+	310.21429	174.0
[M+H-H2O]+	254.24839	168.2
[M+HCOO]-	316.24933	192.4
[M+CH3COO]-	330.26498	203.1
[M+Na-2H]-	292.22580	175.1
[M]+	271.25058	177.5
[M]-	271.25168	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe