CID 482826

2-[(3-cyanoindol-1-yl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CC(=O)OCCOCN1C=C(C2=CC=CC=C21)C#N
InChI
InChI=1S/C14H14N2O3/c1-11(17)19-7-6-18-10-16-9-12(8-15)13-4-2-3-5-14(13)16/h2-5,9H,6-7,10H2,1H3
InChIKey
HBZUXONQRGGMRF-UHFFFAOYSA-N
Compound name
2-[(3-cyanoindol-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.10043 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 158.4
[M+Na]+ 281.08965 169.5
[M-H]- 257.09315 160.8
[M+NH4]+ 276.13425 174.9
[M+K]+ 297.06359 165.0
[M+H-H2O]+ 241.09769 144.4
[M+HCOO]- 303.09863 178.0
[M+CH3COO]- 317.11428 205.8
[M+Na-2H]- 279.07510 162.3
[M]+ 258.09988 159.1
[M]- 258.10098 159.1
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.