CID 11008065

3-hydroxy-2-phenylpropanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

147.06842 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 132.9
[M+Na]+ 170.05764 144.6
[M+NH4]+ 165.10224 138.1
[M+K]+ 186.03158 135.4
[M-H]- 146.06114 127.5
[M+Na-2H]- 168.04309 137.3
[M]+ 147.06787 132.1
[M]- 147.06897 132.1
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