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

32
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 129.3
[M+Na]+ 154.06272 139.6
[M-H]- 130.06622 131.3
[M+NH4]+ 149.10732 148.6
[M+K]+ 170.03666 135.4
[M+H-H2O]+ 114.07076 118.1
[M+HCOO]- 176.07170 148.4
[M+CH3COO]- 190.08735 183.7
[M+Na-2H]- 152.04817 135.0
[M]+ 131.07295 122.0
[M]- 131.07405 122.0
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