CID 2800815

4-(2-hydroxyethyl)benzonitrile

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=CC(=CC=C1CCO)C#N
InChI
InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
InChIKey
RBSJBNYPTGMZIH-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

639
Patents

147.06842 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 130.9
[M+Na]+ 170.057638 141.0
[M-H]- 146.061144 133.3
[M+NH4]+ 165.102243 149.8
[M+K]+ 186.031578 137.6
[M+H-H2O]+ 130.065680 119.3
[M+HCOO]- 192.066621 150.8
[M+CH3COO]- 206.082271 186.1
[M+Na-2H]- 168.043086 137.5
[M]+ 147.06787142 125.8
[M]- 147.06896858 125.8
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