CID 129971177

1-(4-ethynylphenyl)cyclopentan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H15N
SMILES
C#CC1=CC=C(C=C1)C2(CCCC2)N
InChI
InChI=1S/C13H15N/c1-2-11-5-7-12(8-6-11)13(14)9-3-4-10-13/h1,5-8H,3-4,9-10,14H2
InChIKey
DOJRXBBSGINTCG-UHFFFAOYSA-N
Compound name
1-(4-ethynylphenyl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 147.3
[M+Na]+ 208.109668 157.1
[M-H]- 184.113174 151.4
[M+NH4]+ 203.154273 167.6
[M+K]+ 224.083608 149.7
[M+H-H2O]+ 168.117710 135.3
[M+HCOO]- 230.118651 164.6
[M+CH3COO]- 244.134301 158.4
[M+Na-2H]- 206.095116 149.9
[M]+ 185.11990142 137.3
[M]- 185.12099858 137.3
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

No patent data available for this compound.