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]+ 188.143376 146.1
[M+Na]+ 210.125318 153.8
[M-H]- 186.128824 148.8
[M+NH4]+ 205.169923 163.8
[M+K]+ 226.099258 150.4
[M+H-H2O]+ 170.133360 133.5
[M+HCOO]- 232.134301 164.0
[M+CH3COO]- 246.149951 198.1
[M+Na-2H]- 208.110766 149.5
[M]+ 187.13555142 141.1
[M]- 187.13664858 141.1
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.