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

15
Patents

159.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 137.4
[M+Na]+ 182.09402 146.3
[M-H]- 158.09752 140.5
[M+NH4]+ 177.13862 156.3
[M+K]+ 198.06796 143.0
[M+H-H2O]+ 142.10206 125.2
[M+HCOO]- 204.10300 156.9
[M+CH3COO]- 218.11865 190.8
[M+Na-2H]- 180.07947 142.9
[M]+ 159.10425 132.3
[M]- 159.10535 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