CID 14756402

Xetoaminol a

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

CC/C=C/CCCCCCC[C@H]([C@H](C)N)O

InChI

InChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h4-5,13-14,16H,3,6-12,15H2,1-2H3/b5-4+/t13-,14+/m0/s1

InChIKey

BVWZJMSWYIKRNF-OOPLNXAUSA-N

Compound name

(E,2S,3R)-2-aminotetradec-11-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 227.22491 Da
Monoisotopic Mass: 3.8
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]+	228.23219	163.7
[M+Na]+	250.21413	166.2
[M-H]-	226.21763	160.7
[M+NH4]+	245.25873	180.7
[M+K]+	266.18807	163.4
[M+H-H2O]+	210.22217	157.7
[M+HCOO]-	272.22311	182.2
[M+CH3COO]-	286.23876	195.0
[M+Na-2H]-	248.19958	162.4
[M]+	227.22436	163.5
[M]-	227.22546	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.