CID 131066394

2490344-82-4

Structural Information

Molecular Formula
C10H11N
SMILES
C[C@H](C1=CC=C(C=C1)C#C)N
InChI
InChI=1S/C10H11N/c1-3-9-4-6-10(7-5-9)8(2)11/h1,4-8H,11H2,2H3/t8-/m1/s1
InChIKey
LMPWVOBLZARDJU-MRVPVSSYSA-N
Compound name
(1R)-1-(4-ethynylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.08914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 134.7
[M+Na]+ 168.07836 144.3
[M-H]- 144.08186 136.6
[M+NH4]+ 163.12296 153.4
[M+K]+ 184.05230 140.3
[M+H-H2O]+ 128.08640 123.3
[M+HCOO]- 190.08734 152.6
[M+CH3COO]- 204.10299 187.2
[M+Na-2H]- 166.06381 138.6
[M]+ 145.08859 127.1
[M]- 145.08969 127.1
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

No patent data available for this compound.