CID 58975075

1,2-dihydrospiro[indole-3,4'-oxane] hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1COCCC12CNC3=CC=CC=C23

InChI

InChI=1S/C12H15NO/c1-2-4-11-10(3-1)12(9-13-11)5-7-14-8-6-12/h1-4,13H,5-9H2

InChIKey

YIERQJCKUDMMMK-UHFFFAOYSA-N

Compound name

spiro[1,2-dihydroindole-3,4'-oxane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 189.11537 Da
Monoisotopic Mass: 2.1
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]+	190.122646	141.1
[M+Na]+	212.104588	147.3
[M-H]-	188.108094	144.9
[M+NH4]+	207.149193	162.1
[M+K]+	228.078528	144.4
[M+H-H2O]+	172.112630	134.3
[M+HCOO]-	234.113571	157.6
[M+CH3COO]-	248.129221	153.1
[M+Na-2H]-	210.090036	148.2
[M]+	189.11482142	135.0
[M]-	189.11591858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe