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

8
Patents

148.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 131.6
[M+Na]+ 171.052878 141.1
[M-H]- 147.056384 133.9
[M+NH4]+ 166.097483 150.0
[M+K]+ 187.026818 138.1
[M+H-H2O]+ 131.060920 119.7
[M+HCOO]- 193.061861 152.5
[M+CH3COO]- 207.077511 187.8
[M+Na-2H]- 169.038326 138.7
[M]+ 148.06311142 125.4
[M]- 148.06420858 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