CID 17743

N-nitrosocarbazole

Structural Information

Molecular Formula

C₁₂H₈N₂O

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2N=O

InChI

InChI=1S/C12H8N2O/c15-13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

InChIKey

XPKSVCWBMBPUPE-UHFFFAOYSA-N

Compound name

9-nitrosocarbazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 42
Patents: 196.06366 Da
Monoisotopic Mass: 3.1
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]+	197.07094	136.9
[M+Na]+	219.05288	148.5
[M-H]-	195.05638	143.5
[M+NH4]+	214.09748	159.6
[M+K]+	235.02682	144.8
[M+H-H2O]+	179.06092	129.9
[M+HCOO]-	241.06186	164.1
[M+CH3COO]-	255.07751	152.2
[M+Na-2H]-	217.03833	147.6
[M]+	196.06311	140.8
[M]-	196.06421	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe