CID 207419

2-propyn-1-amine, n,n-dimethyl-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C11H13N
SMILES
CN(C)CC#CC1=CC=CC=C1
InChI
InChI=1S/C11H13N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,10H2,1-2H3
InChIKey
ARDFJWBFPXYFMH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

159.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 137.4
[M+Na]+ 182.094018 146.3
[M-H]- 158.097524 140.5
[M+NH4]+ 177.138623 156.3
[M+K]+ 198.067958 143.0
[M+H-H2O]+ 142.102060 125.2
[M+HCOO]- 204.103001 156.9
[M+CH3COO]- 218.118651 190.8
[M+Na-2H]- 180.079466 142.9
[M]+ 159.10425142 132.3
[M]- 159.10534858 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe