CID 70776

2-(azocan-1-yl)ethanamine

Structural Information

Molecular Formula
C9H20N2
SMILES
C1CCCN(CCC1)CCN
InChI
InChI=1S/C9H20N2/c10-6-9-11-7-4-2-1-3-5-8-11/h1-10H2
InChIKey
ZFGCHESRGLETHQ-UHFFFAOYSA-N
Compound name
2-(azocan-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

156.16264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 135.7
[M+Na]+ 179.15186 138.9
[M+NH4]+ 174.19646 138.7
[M+K]+ 195.12580 138.6
[M-H]- 155.15536 136.6
[M+Na-2H]- 177.13731 139.3
[M]+ 156.16209 136.3
[M]- 156.16319 136.3
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