CID 70678793

1-deoxymethylsphinganine(1+)

Structural Information

Molecular Formula

C₁₇H₃₇NO

SMILES

CCCCCCCCCCCCCCC[C@H](CN)O

InChI

InChI=1S/C17H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18/h17,19H,2-16,18H2,1H3/t17-/m1/s1

InChIKey

UGVBFHUWZNNKIK-QGZVFWFLSA-N

Compound name

(2R)-1-aminoheptadecan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 271.2875 Da
Monoisotopic Mass: 6.4
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]+	272.29478	174.4
[M+Na]+	294.27672	180.8
[M+NH4]+	289.32132	180.2
[M+K]+	310.25066	173.5
[M-H]-	270.28022	173.4
[M+Na-2H]-	292.26217	174.5
[M]+	271.28695	174.6
[M]-	271.28805	174.6

Literature stripe

literature stripe

Patent stripe

patents stripe