CID 13413786

18019-17-5

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1CC2CNC3=CC=CC=C3N2C1

InChI

InChI=1S/C11H14N2/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)11/h1-2,5-6,9,12H,3-4,7-8H2

InChIKey

IZAIOGMVPVWOKY-UHFFFAOYSA-N

Compound name

1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 14
Patents: 174.11569 Da
Monoisotopic Mass: 2.4
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]+	175.12297	137.6
[M+Na]+	197.10491	144.4
[M-H]-	173.10841	138.1
[M+NH4]+	192.14951	158.1
[M+K]+	213.07885	139.9
[M+H-H2O]+	157.11295	130.2
[M+HCOO]-	219.11389	153.5
[M+CH3COO]-	233.12954	149.2
[M+Na-2H]-	195.09036	143.8
[M]+	174.11514	131.7
[M]-	174.11624	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe