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

39
Patents

131.0735 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.080776 129.3
[M+Na]+ 154.062718 139.6
[M-H]- 130.066224 131.3
[M+NH4]+ 149.107323 148.6
[M+K]+ 170.036658 135.4
[M+H-H2O]+ 114.070760 118.1
[M+HCOO]- 176.071701 148.4
[M+CH3COO]- 190.087351 183.7
[M+Na-2H]- 152.048166 135.0
[M]+ 131.07295142 122.0
[M]- 131.07404858 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