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

38
Patents

147.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 132.2
[M+Na]+ 170.057638 142.1
[M-H]- 146.061144 134.7
[M+NH4]+ 165.102243 151.0
[M+K]+ 186.031578 139.1
[M+H-H2O]+ 130.065680 120.7
[M+HCOO]- 192.066621 151.2
[M+CH3COO]- 206.082271 186.9
[M+Na-2H]- 168.043086 137.6
[M]+ 147.06787142 126.5
[M]- 147.06896858 126.5
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