CID 4717479

N-methyl-3-phenylprop-2-yn-1-amine

Structural Information

Molecular Formula
C10H11N
SMILES
CNCC#CC1=CC=CC=C1
InChI
InChI=1S/C10H11N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,9H2,1H3
InChIKey
HXHNCCXRHHKYJM-UHFFFAOYSA-N
Compound name
N-methyl-3-phenylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

145.08914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 134.4
[M+Na]+ 168.07836 146.8
[M+NH4]+ 163.12296 140.1
[M+K]+ 184.05230 136.2
[M-H]- 144.08186 129.7
[M+Na-2H]- 166.06381 139.3
[M]+ 145.08859 134.0
[M]- 145.08969 134.0
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