CID 71602273

Chembl2377600

Structural Information

Molecular Formula
C11H10N2O
SMILES
CN1C=C(C2=C1C(=CC=C2)O)CC#N
InChI
InChI=1S/C11H10N2O/c1-13-7-8(5-6-12)9-3-2-4-10(14)11(9)13/h2-4,7,14H,5H2,1H3
InChIKey
GUZXLEZYEOLAGV-UHFFFAOYSA-N
Compound name
2-(7-hydroxy-1-methylindol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

186.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 141.0
[M+Na]+ 209.06854 154.2
[M-H]- 185.07204 143.1
[M+NH4]+ 204.11314 160.2
[M+K]+ 225.04248 148.6
[M+H-H2O]+ 169.07658 128.5
[M+HCOO]- 231.07752 160.7
[M+CH3COO]- 245.09317 193.4
[M+Na-2H]- 207.05399 146.5
[M]+ 186.07877 138.3
[M]- 186.07987 138.3
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

patents stripe