CID 84218

1-docosanamine

Structural Information

Molecular Formula

C₂₂H₄₇N

SMILES

CCCCCCCCCCCCCCCCCCCCCCN

InChI

InChI=1S/C22H47N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-23H2,1H3

InChIKey

VPNOHCYAOXWMAR-UHFFFAOYSA-N

Compound name

docosan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5539
Patents: 325.37085 Da
Monoisotopic Mass: 10.7
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]+	326.37813	194.7
[M+Na]+	348.36007	194.4
[M-H]-	324.36357	191.3
[M+NH4]+	343.40467	208.6
[M+K]+	364.33401	189.5
[M+H-H2O]+	308.36811	186.8
[M+HCOO]-	370.36905	213.5
[M+CH3COO]-	384.38470	219.6
[M+Na-2H]-	346.34552	192.4
[M]+	325.37030	200.2
[M]-	325.37140	200.2

Literature stripe

literature stripe

Patent stripe

patents stripe