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]+ 186.12773 147.3
[M+Na]+ 208.10967 157.1
[M-H]- 184.11317 151.4
[M+NH4]+ 203.15427 167.6
[M+K]+ 224.08361 149.7
[M+H-H2O]+ 168.11771 135.3
[M+HCOO]- 230.11865 164.6
[M+CH3COO]- 244.13430 158.4
[M+Na-2H]- 206.09512 149.9
[M]+ 185.11990 137.3
[M]- 185.12100 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.