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: 16
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]+	163.086596	130.8
[M+Na]+	185.068538	140.3
[M-H]-	161.072044	135.8
[M+NH4]+	180.113143	153.8
[M+K]+	201.042478	138.6
[M+H-H2O]+	145.076580	124.4
[M+HCOO]-	207.077521	156.3
[M+CH3COO]-	221.093171	182.5
[M+Na-2H]-	183.053986	138.2
[M]+	162.07877142	132.0
[M]-	162.07986858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe