CID 12598926

85440-79-5

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CC1CC2=CC=CC=C2N1N=O

InChI

InChI=1S/C9H10N2O/c1-7-6-8-4-2-3-5-9(8)11(7)10-12/h2-5,7H,6H2,1H3

InChIKey

KBCZSFIDYXEMTH-UHFFFAOYSA-N

Compound name

2-methyl-1-nitroso-2,3-dihydroindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 162.07932 Da
Monoisotopic Mass: 2.2
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]+	163.08660	130.8
[M+Na]+	185.06854	140.3
[M-H]-	161.07204	135.8
[M+NH4]+	180.11314	153.8
[M+K]+	201.04248	138.6
[M+H-H2O]+	145.07658	124.4
[M+HCOO]-	207.07752	156.3
[M+CH3COO]-	221.09317	182.5
[M+Na-2H]-	183.05399	138.2
[M]+	162.07877	132.0
[M]-	162.07987	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe