CID 11658413

(-)-3-cyanomethyl-3-hydroxy-1h-indol-2(3h)-one

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)(CC#N)O
InChI
InChI=1S/C10H8N2O2/c11-6-5-10(14)7-3-1-2-4-8(7)12-9(10)13/h1-4,14H,5H2,(H,12,13)
InChIKey
IXOBWMNTICTXOJ-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

188.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 141.9
[M+Na]+ 211.047798 153.8
[M-H]- 187.051304 142.6
[M+NH4]+ 206.092403 161.7
[M+K]+ 227.021738 147.3
[M+H-H2O]+ 171.055840 130.2
[M+HCOO]- 233.056781 158.4
[M+CH3COO]- 247.072431 188.6
[M+Na-2H]- 209.033246 147.5
[M]+ 188.05803142 135.4
[M]- 188.05912858 135.4
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