CID 400151

2-[(3-formylindolyl)methoxy]ethyl acetate

Structural Information

Molecular Formula
C14H15NO4
SMILES
CC(=O)OCCOCN1C=C(C2=CC=CC=C21)C=O
InChI
InChI=1S/C14H15NO4/c1-11(17)19-7-6-18-10-15-8-12(9-16)13-4-2-3-5-14(13)15/h2-5,8-9H,6-7,10H2,1H3
InChIKey
SDZRCHRYIAOYSO-UHFFFAOYSA-N
Compound name
2-[(3-formylindol-1-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.1001 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 157.0
[M+Na]+ 284.08932 166.4
[M-H]- 260.09282 160.7
[M+NH4]+ 279.13392 175.5
[M+K]+ 300.06326 163.9
[M+H-H2O]+ 244.09736 149.9
[M+HCOO]- 306.09830 180.9
[M+CH3COO]- 320.11395 195.0
[M+Na-2H]- 282.07477 161.6
[M]+ 261.09955 164.5
[M]- 261.10065 164.5
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.