CID 16794881

5-(benzyloxy)indoline

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

C1CNC2=C1C=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C15H15NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-7,10,16H,8-9,11H2

InChIKey

NHULNFPNWXCXDI-UHFFFAOYSA-N

Compound name

5-phenylmethoxy-2,3-dihydro-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 225.11537 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.12265	151.5
[M+Na]+	248.10459	165.5
[M+NH4]+	243.14919	161.3
[M+K]+	264.07853	158.7
[M-H]-	224.10809	155.9
[M+Na-2H]-	246.09004	159.9
[M]+	225.11482	154.8
[M]-	225.11592	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe