CID 10236627

Paecilaminol

Structural Information

Molecular Formula

C₂₀H₄₃NO

SMILES

CCC(C)CC(C)CCCCCCCCCCC(C(C)N)O

InChI

InChI=1S/C20H43NO/c1-5-17(2)16-18(3)14-12-10-8-6-7-9-11-13-15-20(22)19(4)21/h17-20,22H,5-16,21H2,1-4H3

InChIKey

PRIXJBFEYXJGPF-UHFFFAOYSA-N

Compound name

2-amino-14,16-dimethyloctadecan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 54
Patents: 313.33447 Da
Monoisotopic Mass: 7.4
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]+	314.34175	193.2
[M+Na]+	336.32369	192.4
[M-H]-	312.32719	189.1
[M+NH4]+	331.36829	206.6
[M+K]+	352.29763	189.7
[M+H-H2O]+	296.33173	186.2
[M+HCOO]-	358.33267	207.5
[M+CH3COO]-	372.34832	216.1
[M+Na-2H]-	334.30914	186.2
[M]+	313.33392	194.8
[M]-	313.33502	194.8

Literature stripe

literature stripe

Patent stripe

patents stripe