CID 20841374

Palmitoleylamine

Structural Information

Molecular Formula

C₁₆H₃₃N

SMILES

CCCCCC/C=C\CCCCCCCCN

InChI

InChI=1S/C16H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8H,2-6,9-17H2,1H3/b8-7-

InChIKey

UATFHWVUSDADRL-FPLPWBNLSA-N

Compound name

(Z)-hexadec-9-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 300
Patents: 239.2613 Da
Monoisotopic Mass: 6.5
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]+	240.26858	167.1
[M+Na]+	262.25052	169.7
[M-H]-	238.25402	165.0
[M+NH4]+	257.29512	184.5
[M+K]+	278.22446	165.9
[M+H-H2O]+	222.25856	160.6
[M+HCOO]-	284.25950	188.2
[M+CH3COO]-	298.27515	200.1
[M+Na-2H]-	260.23597	168.1
[M]+	239.26075	169.6
[M]-	239.26185	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe