CID 139026897

2361634-30-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1CC2(C1)CNC3=C2N=CC=C3

InChI

InChI=1S/C10H12N2/c1-3-8-9(11-6-1)10(7-12-8)4-2-5-10/h1,3,6,12H,2,4-5,7H2

InChIKey

SXJZIASPWBPRAX-UHFFFAOYSA-N

Compound name

spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,1'-cyclobutane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 160.10005 Da
Monoisotopic Mass: 1.7
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]+	161.10733	130.8
[M+Na]+	183.08927	138.2
[M-H]-	159.09277	133.5
[M+NH4]+	178.13387	147.0
[M+K]+	199.06321	137.2
[M+H-H2O]+	143.09731	119.7
[M+HCOO]-	205.09825	148.8
[M+CH3COO]-	219.11390	143.3
[M+Na-2H]-	181.07472	138.7
[M]+	160.09950	135.4
[M]-	160.10060	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe