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

0
Patents

158.04802 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.05530 134.5
[M+Na]+ 181.03724 147.2
[M-H]- 157.04074 135.3
[M+NH4]+ 176.08184 153.7
[M+K]+ 197.01118 141.2
[M+H-H2O]+ 141.04528 122.3
[M+HCOO]- 203.04622 153.3
[M+CH3COO]- 217.06187 146.8
[M+Na-2H]- 179.02269 141.0
[M]+ 158.04747 129.1
[M]- 158.04857 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