CID 15187050

180160-97-8

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

C1COC2(CCNCC2)C3=CC=CC=C31

InChI

InChI=1S/C13H17NO/c1-2-4-12-11(3-1)5-10-15-13(12)6-8-14-9-7-13/h1-4,14H,5-10H2

InChIKey

SKFZSJIOAVSXCU-UHFFFAOYSA-N

Compound name

spiro[3,4-dihydroisochromene-1,4'-piperidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 203.13101 Da
Monoisotopic Mass: 1.5
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]+	204.13829	145.4
[M+Na]+	226.12023	150.1
[M-H]-	202.12373	148.6
[M+NH4]+	221.16483	163.8
[M+K]+	242.09417	147.1
[M+H-H2O]+	186.12827	137.5
[M+HCOO]-	248.12921	159.2
[M+CH3COO]-	262.14486	156.1
[M+Na-2H]-	224.10568	153.7
[M]+	203.13046	137.3
[M]-	203.13156	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe