CID 12666390

3-cyclohexylpropan-1-amine

Structural Information

Molecular Formula
C9H19N
SMILES
C1CCC(CC1)CCCN
InChI
InChI=1S/C9H19N/c10-8-4-7-9-5-2-1-3-6-9/h9H,1-8,10H2
InChIKey
KPOYTMZDCUXJBP-UHFFFAOYSA-N
Compound name
3-cyclohexylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

633
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 133.6
[M+Na]+ 164.14097 143.3
[M+NH4]+ 159.18557 143.1
[M+K]+ 180.11491 136.3
[M-H]- 140.14447 136.6
[M+Na-2H]- 162.12642 138.9
[M]+ 141.15120 135.6
[M]- 141.15230 135.6
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