CID 121318244

2-(3-ethynylphenyl)propan-2-amine hydrochloride

Structural Information

Molecular Formula
C11H13N
SMILES
CC(C)(C1=CC=CC(=C1)C#C)N
InChI
InChI=1S/C11H13N/c1-4-9-6-5-7-10(8-9)11(2,3)12/h1,5-8H,12H2,2-3H3
InChIKey
YREBKMLLJYPNLL-UHFFFAOYSA-N
Compound name
2-(3-ethynylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

159.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 140.9
[M+Na]+ 182.094018 150.6
[M-H]- 158.097524 142.8
[M+NH4]+ 177.138623 159.2
[M+K]+ 198.067958 146.5
[M+H-H2O]+ 142.102060 129.7
[M+HCOO]- 204.103001 157.9
[M+CH3COO]- 218.118651 189.5
[M+Na-2H]- 180.079466 145.7
[M]+ 159.10425142 133.7
[M]- 159.10534858 133.7
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

patents stripe