CID 3066894

N-methyl-n-propargyl-1-(4-cyclopentylphenyl)ethylamine hydrochloride

Structural Information

Molecular Formula
C17H23N
SMILES
CC(C1=CC=C(C=C1)C2CCCC2)N(C)CC#C
InChI
InChI=1S/C17H23N/c1-4-13-18(3)14(2)15-9-11-17(12-10-15)16-7-5-6-8-16/h1,9-12,14,16H,5-8,13H2,2-3H3
InChIKey
XTDOGFQXAAXMAB-UHFFFAOYSA-N
Compound name
N-[1-(4-cyclopentylphenyl)ethyl]-N-methylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.18304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 161.2
[M+Na]+ 264.17226 171.7
[M+NH4]+ 259.21686 166.6
[M+K]+ 280.14620 162.8
[M-H]- 240.17576 157.5
[M+Na-2H]- 262.15771 164.5
[M]+ 241.18249 160.8
[M]- 241.18359 160.8
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.