CID 78473

Cyclooctylmethanamine

Structural Information

Molecular Formula
C9H19N
SMILES
C1CCCC(CCC1)CN
InChI
InChI=1S/C9H19N/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-8,10H2
InChIKey
GQOIKWAYFXTZOK-UHFFFAOYSA-N
Compound name
cyclooctylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

154
Patents

141.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 135.1
[M+Na]+ 164.14097 138.3
[M+NH4]+ 159.18557 138.3
[M+K]+ 180.11491 137.9
[M-H]- 140.14447 136.2
[M+Na-2H]- 162.12642 138.7
[M]+ 141.15120 135.7
[M]- 141.15230 135.7
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