CID 45079151

(3-ethynylphenyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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

No literature data available for this compound.

Patent stripe

patents stripe