CID 9878914

(2s)-2-aminooctadecan-3-one

Structural Information

Molecular Formula

C₁₈H₃₇NO

SMILES

CCCCCCCCCCCCCCCC(=O)[C@H](C)N

InChI

InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17H,3-16,19H2,1-2H3/t17-/m0/s1

InChIKey

HNOAUFBMSISHIO-KRWDZBQOSA-N

Compound name

(2S)-2-aminooctadecan-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 283.2875 Da
Monoisotopic Mass: 6.8
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]+	284.29478	178.1
[M+Na]+	306.27672	184.5
[M+NH4]+	301.32132	183.7
[M+K]+	322.25066	177.4
[M-H]-	282.28022	177.1
[M+Na-2H]-	304.26217	178.0
[M]+	283.28695	178.3
[M]-	283.28805	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe