CID 86607690

2-(3-formyl-4-hydroxyphenyl)acetonitrile

Structural Information

Molecular Formula
C9H7NO2
SMILES
C1=CC(=C(C=C1CC#N)C=O)O
InChI
InChI=1S/C9H7NO2/c10-4-3-7-1-2-9(12)8(5-7)6-11/h1-2,5-6,12H,3H2
InChIKey
BKZOBSOONHBLJE-UHFFFAOYSA-N
Compound name
2-(3-formyl-4-hydroxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

161.04768 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.054956 132.7
[M+Na]+ 184.036898 143.8
[M-H]- 160.040404 135.5
[M+NH4]+ 179.081503 151.2
[M+K]+ 200.010838 140.5
[M+H-H2O]+ 144.044940 121.2
[M+HCOO]- 206.045881 152.9
[M+CH3COO]- 220.061531 188.2
[M+Na-2H]- 182.022346 138.6
[M]+ 161.04713142 128.6
[M]- 161.04822858 128.6
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