CID 57638576

Schembl10171589

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C(C#N)O
InChI
InChI=1S/C10H8N2O/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,10,12-13H
InChIKey
VGQUBGXRAQAKRE-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

172.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 140.1
[M+Na]+ 195.05288 151.3
[M-H]- 171.05638 140.4
[M+NH4]+ 190.09748 158.4
[M+K]+ 211.02682 145.4
[M+H-H2O]+ 155.06092 127.5
[M+HCOO]- 217.06186 157.7
[M+CH3COO]- 231.07751 151.5
[M+Na-2H]- 193.03833 145.6
[M]+ 172.06311 134.1
[M]- 172.06421 134.1
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