CID 122234931

4-oh-icn

Structural Information

Molecular Formula
C10H6N2O2
SMILES
C1=CC2=C(C(=C1)O)C(=CN2)C(=O)C#N
InChI
InChI=1S/C10H6N2O2/c11-4-9(14)6-5-12-7-2-1-3-8(13)10(6)7/h1-3,5,12-13H
InChIKey
KVUDODPZCDAFRS-UHFFFAOYSA-N
Compound name
4-hydroxy-1H-indole-3-carbonyl cyanide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

186.04292 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05020 142.6
[M+Na]+ 209.03214 154.7
[M-H]- 185.03564 143.3
[M+NH4]+ 204.07674 160.5
[M+K]+ 225.00608 148.9
[M+H-H2O]+ 169.04018 130.1
[M+HCOO]- 231.04112 160.5
[M+CH3COO]- 245.05677 189.2
[M+Na-2H]- 207.01759 147.3
[M]+ 186.04237 137.5
[M]- 186.04347 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.