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 163.0
[M+Na]+ 264.17226 169.8
[M-H]- 240.17576 167.6
[M+NH4]+ 259.21686 180.0
[M+K]+ 280.14620 163.9
[M+H-H2O]+ 224.18030 149.4
[M+HCOO]- 286.18124 179.0
[M+CH3COO]- 300.19689 206.4
[M+Na-2H]- 262.15771 161.8
[M]+ 241.18249 155.3
[M]- 241.18359 155.3
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

patents stripe