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]+ 196.20598 152.3
[M+Na]+ 218.18792 153.7
[M-H]- 194.19142 156.7
[M+NH4]+ 213.23252 173.8
[M+K]+ 234.16186 151.5
[M+H-H2O]+ 178.19596 145.5
[M+HCOO]- 240.19690 171.9
[M+CH3COO]- 254.21255 185.9
[M+Na-2H]- 216.17337 150.0
[M]+ 195.19815 144.4
[M]- 195.19925 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