CID 55265261

4-amino-3-ethynylphenol

Structural Information

Molecular Formula
C8H7NO
SMILES
C#CC1=C(C=CC(=C1)O)N
InChI
InChI=1S/C8H7NO/c1-2-6-5-7(10)3-4-8(6)9/h1,3-5,10H,9H2
InChIKey
KWAVJRAWTNPFGT-UHFFFAOYSA-N
Compound name
4-amino-3-ethynylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.05276 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 129.1
[M+Na]+ 156.04198 140.1
[M-H]- 132.04548 130.4
[M+NH4]+ 151.08658 147.9
[M+K]+ 172.01592 136.0
[M+H-H2O]+ 116.05002 118.3
[M+HCOO]- 178.05096 147.4
[M+CH3COO]- 192.06661 181.5
[M+Na-2H]- 154.02743 134.0
[M]+ 133.05221 121.4
[M]- 133.05331 121.4
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

No patent data available for this compound.