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]+ 217.09715 147.3
[M+Na]+ 239.07909 159.1
[M-H]- 215.08259 148.8
[M+NH4]+ 234.12369 165.0
[M+K]+ 255.05303 153.8
[M+H-H2O]+ 199.08713 134.1
[M+HCOO]- 261.08807 166.9
[M+CH3COO]- 275.10372 196.9
[M+Na-2H]- 237.06454 153.0
[M]+ 216.08932 145.8
[M]- 216.09042 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.