CID 10059639

Halaminol a

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

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

InChI

InChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,13-14,16H,1,4-12,15H2,2H3/t13-,14+/m0/s1

InChIKey

KLWPMNOQFSPVII-UONOGXRCSA-N

Compound name

(2S,3R)-2-aminotetradec-13-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 227.22491 Da
Monoisotopic Mass: 4.2
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	163.4
[M+Na]+	250.21413	165.9
[M-H]-	226.21763	160.4
[M+NH4]+	245.25873	180.3
[M+K]+	266.18807	163.0
[M+H-H2O]+	210.22217	157.4
[M+HCOO]-	272.22311	181.9
[M+CH3COO]-	286.23876	195.6
[M+Na-2H]-	248.19958	162.2
[M]+	227.22436	163.3
[M]-	227.22546	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe