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]+ 194.08118 140.2
[M+Na]+ 216.06312 150.2
[M-H]- 192.06662 142.7
[M+NH4]+ 211.10772 157.5
[M+K]+ 232.03706 148.3
[M+H-H2O]+ 176.07116 128.3
[M+HCOO]- 238.07210 159.3
[M+CH3COO]- 252.08775 194.3
[M+Na-2H]- 214.04857 144.6
[M]+ 193.07335 137.7
[M]- 193.07445 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