CID 214391

Phenethylamine, n,n-dimethyl-beta-prop-2-ynyl-

Structural Information

Molecular Formula
C13H17N
SMILES
CN(C)CC(CC#C)C1=CC=CC=C1
InChI
InChI=1S/C13H17N/c1-4-8-13(11-14(2)3)12-9-6-5-7-10-12/h1,5-7,9-10,13H,8,11H2,2-3H3
InChIKey
PTIIMCBYLBHDSE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-phenylpent-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 145.6
[M+Na]+ 210.12532 157.3
[M+NH4]+ 205.16992 151.0
[M+K]+ 226.09926 147.3
[M-H]- 186.12882 140.9
[M+Na-2H]- 208.11077 149.8
[M]+ 187.13555 145.2
[M]- 187.13665 145.2
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.