CID 15679609

2-methyl-4-phenylbut-3-yn-2-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

159.1048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 142.1
[M+Na]+ 182.094018 151.2
[M-H]- 158.097524 143.8
[M+NH4]+ 177.138623 160.3
[M+K]+ 198.067958 146.9
[M+H-H2O]+ 142.102060 130.7
[M+HCOO]- 204.103001 159.1
[M+CH3COO]- 218.118651 187.2
[M+Na-2H]- 180.079466 147.5
[M]+ 159.10425142 134.4
[M]- 159.10534858 134.4
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