CID 232907

8-pentadecanamine

Structural Information

Molecular Formula

C₁₅H₃₃N

SMILES

CCCCCCCC(CCCCCCC)N

InChI

InChI=1S/C15H33N/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h15H,3-14,16H2,1-2H3

InChIKey

NTPSQPZXFVRULZ-UHFFFAOYSA-N

Compound name

pentadecan-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 282
Patents: 227.2613 Da
Monoisotopic Mass: 6.2
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]+	228.26858	165.2
[M+Na]+	250.25052	167.6
[M-H]-	226.25402	163.3
[M+NH4]+	245.29512	183.0
[M+K]+	266.22446	165.1
[M+H-H2O]+	210.25856	158.8
[M+HCOO]-	272.25950	185.4
[M+CH3COO]-	286.27515	199.4
[M+Na-2H]-	248.23597	165.3
[M]+	227.26075	167.4
[M]-	227.26185	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe