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]+ 259.107706 158.4
[M+Na]+ 281.089648 169.5
[M-H]- 257.093154 160.8
[M+NH4]+ 276.134253 174.9
[M+K]+ 297.063588 165.0
[M+H-H2O]+ 241.097690 144.4
[M+HCOO]- 303.098631 178.0
[M+CH3COO]- 317.114281 205.8
[M+Na-2H]- 279.075096 162.3
[M]+ 258.09988142 159.1
[M]- 258.10097858 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

literature stripe

Patent stripe

No patent data available for this compound.