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

literature stripe

Patent stripe

patents stripe