CID 40729

53313-95-4

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC(=CC(=C1)O)C(C#N)O
InChI
InChI=1S/C8H7NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H
InChIKey
ATGRXWCYTKIXIC-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(3-hydroxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

149.04768 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 130.9
[M+Na]+ 172.03690 142.2
[M+NH4]+ 167.08150 135.4
[M+K]+ 188.01084 134.2
[M-H]- 148.04040 124.6
[M+Na-2H]- 170.02235 134.4
[M]+ 149.04713 129.7
[M]- 149.04823 129.7
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