CID 10749215

1-phenylprop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9N
SMILES
C#C[C@H](C1=CC=CC=C1)N
InChI
InChI=1S/C9H9N/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9H,10H2/t9-/m1/s1
InChIKey
WTZFFHKYDKHUSG-SECBINFHSA-N
Compound name
(1R)-1-phenylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

131.0735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 131.2
[M+Na]+ 154.06272 140.4
[M-H]- 130.06622 132.9
[M+NH4]+ 149.10732 150.1
[M+K]+ 170.03666 136.4
[M+H-H2O]+ 114.07076 119.7
[M+HCOO]- 176.07170 149.4
[M+CH3COO]- 190.08735 183.5
[M+Na-2H]- 152.04817 136.2
[M]+ 131.07295 123.0
[M]- 131.07405 123.0
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