CID 22615934

2-(3-hydroxyphenyl)propanenitrile

Structural Information

Molecular Formula
C9H9NO
SMILES
CC(C#N)C1=CC(=CC=C1)O
InChI
InChI=1S/C9H9NO/c1-7(6-10)8-3-2-4-9(11)5-8/h2-5,7,11H,1H3
InChIKey
QXOFLUVMZOPYFY-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

147.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 131.5
[M+Na]+ 170.05764 143.6
[M+NH4]+ 165.10224 136.7
[M+K]+ 186.03158 134.7
[M-H]- 146.06114 126.2
[M+Na-2H]- 168.04309 135.8
[M]+ 147.06787 130.9
[M]- 147.06897 130.9
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