CID 3247037

32164-02-6

Structural Information

Molecular Formula

C₁₇H₃₇NO₂

SMILES

CCCCCCCCCCCCCC[C@H]([C@H](CO)N)O

InChI

InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h16-17,19-20H,2-15,18H2,1H3/t16-,17+/m0/s1

InChIKey

KFQUQCFJDMSIJF-DLBZAZTESA-N

Compound name

(2S,3R)-2-aminoheptadecane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 85
Patents: 287.28244 Da
Monoisotopic Mass: 5.3
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]+	288.28972	181.3
[M+Na]+	310.27166	181.6
[M-H]-	286.27516	176.1
[M+NH4]+	305.31626	194.9
[M+K]+	326.24560	178.2
[M+H-H2O]+	270.27970	174.5
[M+HCOO]-	332.28064	197.2
[M+CH3COO]-	346.29629	204.9
[M+Na-2H]-	308.25711	177.9
[M]+	287.28189	182.5
[M]-	287.28299	182.5

Literature stripe

literature stripe

Patent stripe

patents stripe