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

20
Patents

159.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 140.9
[M+Na]+ 182.09402 150.6
[M-H]- 158.09752 142.8
[M+NH4]+ 177.13862 159.2
[M+K]+ 198.06796 146.5
[M+H-H2O]+ 142.10206 129.7
[M+HCOO]- 204.10300 157.9
[M+CH3COO]- 218.11865 189.5
[M+Na-2H]- 180.07947 145.7
[M]+ 159.10425 133.7
[M]- 159.10535 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