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]+ 282.112476 164.4
[M+Na]+ 304.094418 171.9
[M-H]- 280.097924 170.6
[M+NH4]+ 299.139023 181.4
[M+K]+ 320.068358 167.9
[M+H-H2O]+ 264.102460 156.2
[M+HCOO]- 326.103401 185.6
[M+CH3COO]- 340.119051 197.8
[M+Na-2H]- 302.079866 167.6
[M]+ 281.10465142 165.9
[M]- 281.10574858 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.