CID 43436574

2-(3,5-dimethoxyphenyl)-2-hydroxyacetonitrile

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC1=CC(=CC(=C1)C(C#N)O)OC
InChI
InChI=1S/C10H11NO3/c1-13-8-3-7(10(12)6-11)4-9(5-8)14-2/h3-5,10,12H,1-2H3
InChIKey
ZWGBEAKJEFVQPW-UHFFFAOYSA-N
Compound name
2-(3,5-dimethoxyphenyl)-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

193.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 140.2
[M+Na]+ 216.063118 150.2
[M-H]- 192.066624 142.7
[M+NH4]+ 211.107723 157.5
[M+K]+ 232.037058 148.3
[M+H-H2O]+ 176.071160 128.3
[M+HCOO]- 238.072101 159.3
[M+CH3COO]- 252.087751 194.3
[M+Na-2H]- 214.048566 144.6
[M]+ 193.07335142 137.7
[M]- 193.07444858 137.7
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