CID 58122660

1,3-dicyclopentylpropan-2-amine

Structural Information

Molecular Formula
C13H25N
SMILES
C1CCC(C1)CC(CC2CCCC2)N
InChI
InChI=1S/C13H25N/c14-13(9-11-5-1-2-6-11)10-12-7-3-4-8-12/h11-13H,1-10,14H2
InChIKey
FZQMMVLZVFNSGS-UHFFFAOYSA-N
Compound name
1,3-dicyclopentylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.1987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.205976 152.3
[M+Na]+ 218.187918 153.7
[M-H]- 194.191424 156.7
[M+NH4]+ 213.232523 173.8
[M+K]+ 234.161858 151.5
[M+H-H2O]+ 178.195960 145.5
[M+HCOO]- 240.196901 171.9
[M+CH3COO]- 254.212551 185.9
[M+Na-2H]- 216.173366 150.0
[M]+ 195.19815142 144.4
[M]- 195.19924858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe