CID 132398787

Benzyl 6-formyl-2,3-dihydro-1h-indole-1-carboxylate

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1CN(C2=C1C=CC(=C2)C=O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c19-11-14-6-7-15-8-9-18(16(15)10-14)17(20)21-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2
InChIKey
BXMWHFBBWWSQHD-UHFFFAOYSA-N
Compound name
benzyl 6-formyl-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.4
[M+Na]+ 304.09442 171.9
[M-H]- 280.09792 170.6
[M+NH4]+ 299.13902 181.4
[M+K]+ 320.06836 167.9
[M+H-H2O]+ 264.10246 156.2
[M+HCOO]- 326.10340 185.6
[M+CH3COO]- 340.11905 197.8
[M+Na-2H]- 302.07987 167.6
[M]+ 281.10465 165.9
[M]- 281.10575 165.9
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.