CID 2729308

4-(2-hydroxyethoxy)benzonitrile

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1=CC(=CC=C1C#N)OCCO
InChI
InChI=1S/C9H9NO2/c10-7-8-1-3-9(4-2-8)12-6-5-11/h1-4,11H,5-6H2
InChIKey
NDOQCISMESWUST-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

163.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 133.2
[M+Na]+ 186.05254 143.2
[M-H]- 162.05604 135.5
[M+NH4]+ 181.09714 151.4
[M+K]+ 202.02648 140.4
[M+H-H2O]+ 146.06058 121.4
[M+HCOO]- 208.06152 153.3
[M+CH3COO]- 222.07717 187.9
[M+Na-2H]- 184.03799 139.8
[M]+ 163.06277 129.4
[M]- 163.06387 129.4
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