CID 482832

1-(2-hydroxyethoxymethyl)indole-3-carbonitrile

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1=CC=C2C(=C1)C(=CN2COCCO)C#N
InChI
InChI=1S/C12H12N2O2/c13-7-10-8-14(9-16-6-5-15)12-4-2-1-3-11(10)12/h1-4,8,15H,5-6,9H2
InChIKey
YLDWHBRDXXBCOY-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 147.3
[M+Na]+ 239.079088 159.1
[M-H]- 215.082594 148.8
[M+NH4]+ 234.123693 165.0
[M+K]+ 255.053028 153.8
[M+H-H2O]+ 199.087130 134.1
[M+HCOO]- 261.088071 166.9
[M+CH3COO]- 275.103721 196.9
[M+Na-2H]- 237.064536 153.0
[M]+ 216.08932142 145.8
[M]- 216.09041858 145.8
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.