CID 16124779

(4-ethynylphenyl)methanamine

Structural Information

Molecular Formula
C9H9N
SMILES
C#CC1=CC=C(C=C1)CN
InChI
InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H,7,10H2
InChIKey
JQYMHUXNIQEVSX-UHFFFAOYSA-N
Compound name
(4-ethynylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

131.0735 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08078 128.9
[M+Na]+ 154.06272 141.5
[M+NH4]+ 149.10732 134.6
[M+K]+ 170.03666 131.6
[M-H]- 130.06622 124.1
[M+Na-2H]- 152.04817 133.5
[M]+ 131.07295 128.5
[M]- 131.07405 128.5
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