CID 11008065

52923-48-5

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

45
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 132.8
[M+Na]+ 170.05764 141.8
[M-H]- 146.06114 134.8
[M+NH4]+ 165.10224 151.3
[M+K]+ 186.03158 138.7
[M+H-H2O]+ 130.06568 121.0
[M+HCOO]- 192.06662 151.7
[M+CH3COO]- 206.08227 185.9
[M+Na-2H]- 168.04309 138.8
[M]+ 147.06787 126.7
[M]- 147.06897 126.7
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

No patent data available for this compound.