CID 82700

1-eicosanamine

Structural Information

Molecular Formula
C20H43N
SMILES
CCCCCCCCCCCCCCCCCCCCN
InChI
InChI=1S/C20H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-21H2,1H3
InChIKey
BUHXFUSLEBPCEB-UHFFFAOYSA-N
Compound name
icosan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

7415
Patents

297.33954 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.346816 186.0
[M+Na]+ 320.328758 186.5
[M-H]- 296.332264 183.0
[M+NH4]+ 315.373363 201.0
[M+K]+ 336.302698 182.2
[M+H-H2O]+ 280.336800 178.6
[M+HCOO]- 342.337741 205.5
[M+CH3COO]- 356.353391 213.7
[M+Na-2H]- 318.314206 184.8
[M]+ 297.33899142 190.8
[M]- 297.34008858 190.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe