CID 27274706

1689557-88-7

Structural Information

Molecular Formula

C₁₁H₁₃N

SMILES

C1CC2(C1)CNC3=CC=CC=C23

InChI

InChI=1S/C11H13N/c1-2-5-10-9(4-1)11(8-12-10)6-3-7-11/h1-2,4-5,12H,3,6-8H2

InChIKey

KCKYRVLMXBTLOO-UHFFFAOYSA-N

Compound name

spiro[1,2-dihydroindole-3,1'-cyclobutane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 159.1048 Da
Monoisotopic Mass: 2.8
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]+	160.11208	130.6
[M+Na]+	182.09402	137.6
[M-H]-	158.09752	134.7
[M+NH4]+	177.13862	148.2
[M+K]+	198.06796	136.4
[M+H-H2O]+	142.10206	120.5
[M+HCOO]-	204.10300	149.6
[M+CH3COO]-	218.11865	143.4
[M+Na-2H]-	180.07947	138.1
[M]+	159.10425	135.1
[M]-	159.10535	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe