CID 54435858

2-(2-ethynylphenyl)ethan-1-amine

Structural Information

Molecular Formula
C10H11N
SMILES
C#CC1=CC=CC=C1CCN
InChI
InChI=1S/C10H11N/c1-2-9-5-3-4-6-10(9)7-8-11/h1,3-6H,7-8,11H2
InChIKey
WKRGICSJCLRLNK-UHFFFAOYSA-N
Compound name
2-(2-ethynylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

145.08914 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 133.3
[M+Na]+ 168.07836 143.2
[M-H]- 144.08186 135.1
[M+NH4]+ 163.12296 152.1
[M+K]+ 184.05230 138.7
[M+H-H2O]+ 128.08640 121.9
[M+HCOO]- 190.08734 152.1
[M+CH3COO]- 204.10299 186.4
[M+Na-2H]- 166.06381 138.5
[M]+ 145.08859 126.3
[M]- 145.08969 126.3
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