CID 14386378

Hydroxy-(4-hydroxy-3-methoxy-phenyl)-acetonitrile

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 137.9
[M+Na]+ 202.04746 147.9
[M-H]- 178.05096 139.3
[M+NH4]+ 197.09206 155.0
[M+K]+ 218.02140 145.5
[M+H-H2O]+ 162.05550 126.3
[M+HCOO]- 224.05644 155.8
[M+CH3COO]- 238.07209 189.4
[M+Na-2H]- 200.03291 142.1
[M]+ 179.05769 133.3
[M]- 179.05879 133.3
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