CID 39871084

2-hydroxy-1h-indole-3-carbonitrile

Structural Information

Molecular Formula
C9H6N2O
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C#N
InChI
InChI=1S/C9H6N2O/c10-5-7-6-3-1-2-4-8(6)11-9(7)12/h1-4,11-12H
InChIKey
ZCIPJYDSOBAXDS-UHFFFAOYSA-N
Compound name
2-hydroxy-1H-indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.04802 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.055296 134.5
[M+Na]+ 181.037238 147.2
[M-H]- 157.040744 135.3
[M+NH4]+ 176.081843 153.7
[M+K]+ 197.011178 141.2
[M+H-H2O]+ 141.045280 122.3
[M+HCOO]- 203.046221 153.3
[M+CH3COO]- 217.061871 146.8
[M+Na-2H]- 179.022686 141.0
[M]+ 158.04747142 129.1
[M]- 158.04856858 129.1
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