CID 13781045

2-(3-hydroxyphenoxy)acetonitrile

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC(=CC(=C1)OCC#N)O
InChI
InChI=1S/C8H7NO2/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6,10H,5H2
InChIKey
MARACIAZIFNFQN-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

149.04768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 129.2
[M+Na]+ 172.036898 139.6
[M-H]- 148.040404 131.7
[M+NH4]+ 167.081503 147.9
[M+K]+ 188.010838 137.0
[M+H-H2O]+ 132.044940 117.6
[M+HCOO]- 194.045881 149.6
[M+CH3COO]- 208.061531 185.2
[M+Na-2H]- 170.022346 136.3
[M]+ 149.04713142 125.0
[M]- 149.04822858 125.0
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