CID 3600180

(4-hydroxyanilino)acetonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC(=CC=C1NCC#N)O
InChI
InChI=1S/C8H8N2O/c9-5-6-10-7-1-3-8(11)4-2-7/h1-4,10-11H,6H2
InChIKey
HEWSYZICBOZJRP-UHFFFAOYSA-N
Compound name
2-(4-hydroxyanilino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

148.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 131.6
[M+Na]+ 171.05288 141.1
[M-H]- 147.05638 133.9
[M+NH4]+ 166.09748 150.0
[M+K]+ 187.02682 138.1
[M+H-H2O]+ 131.06092 119.7
[M+HCOO]- 193.06186 152.5
[M+CH3COO]- 207.07751 187.8
[M+Na-2H]- 169.03833 138.7
[M]+ 148.06311 125.4
[M]- 148.06421 125.4
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