CID 13781045

2-(3-hydroxyphenoxy)acetonitrile

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC(=CC(=C1)OCC#N)O
InChI
InChI=1S/C8H7NO2/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6,10H,5H2
InChIKey
MARACIAZIFNFQN-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

149.04768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 129.2
[M+Na]+ 172.03690 139.6
[M-H]- 148.04040 131.7
[M+NH4]+ 167.08150 147.9
[M+K]+ 188.01084 137.0
[M+H-H2O]+ 132.04494 117.6
[M+HCOO]- 194.04588 149.6
[M+CH3COO]- 208.06153 185.2
[M+Na-2H]- 170.02235 136.3
[M]+ 149.04713 125.0
[M]- 149.04823 125.0
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

patents stripe