CID 16794881

92818-36-5

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: 112
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]+	226.122646	150.0
[M+Na]+	248.104588	157.0
[M-H]-	224.108094	154.6
[M+NH4]+	243.149193	168.6
[M+K]+	264.078528	151.9
[M+H-H2O]+	208.112630	142.3
[M+HCOO]-	270.113571	170.7
[M+CH3COO]-	284.129221	162.0
[M+Na-2H]-	246.090036	155.7
[M]+	225.11482142	148.0
[M]-	225.11591858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe