CID 12666390

3-cyclohexylpropylamine

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

630
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 134.0
[M+Na]+ 164.14097 137.4
[M-H]- 140.14447 135.8
[M+NH4]+ 159.18557 154.7
[M+K]+ 180.11491 135.8
[M+H-H2O]+ 124.14901 128.1
[M+HCOO]- 186.14995 154.5
[M+CH3COO]- 200.16560 176.6
[M+Na-2H]- 162.12642 138.4
[M]+ 141.15120 127.8
[M]- 141.15230 127.8
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