CID 36571

(4-methoxyphenyl)glycolonitrile

Structural Information

Molecular Formula
C9H9NO2
SMILES
COC1=CC=C(C=C1)C(C#N)O
InChI
InChI=1S/C9H9NO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9,11H,1H3
InChIKey
WLDAAMXETLHTER-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

83
Patents

163.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 134.6
[M+Na]+ 186.05254 144.3
[M-H]- 162.05604 137.0
[M+NH4]+ 181.09714 152.7
[M+K]+ 202.02648 141.9
[M+H-H2O]+ 146.06058 122.8
[M+HCOO]- 208.06152 153.7
[M+CH3COO]- 222.07717 188.7
[M+Na-2H]- 184.03799 140.0
[M]+ 163.06277 130.1
[M]- 163.06387 130.1
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