CID 14386378

33630-46-5

Structural Information

Molecular Formula
C9H9NO3
SMILES
COC1=C(C=CC(=C1)C(C#N)O)O
InChI
InChI=1S/C9H9NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,1H3
InChIKey
VHGYYIXSLHYRBH-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

179.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 136.4
[M+Na]+ 202.04746 147.4
[M+NH4]+ 197.09206 140.2
[M+K]+ 218.02140 139.9
[M-H]- 178.05096 129.7
[M+Na-2H]- 200.03291 139.1
[M]+ 179.05769 135.0
[M]- 179.05879 135.0
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