CID 97551

3484-22-8

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC1=NC2=C(C1(C)C)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O2/c1-7-11(2,3)9-6-8(13(14)15)4-5-10(9)12-7/h4-6H,1-3H3

InChIKey

DDORSJSRAREODY-UHFFFAOYSA-N

Compound name

2,3,3-trimethyl-5-nitroindole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 68
Patents: 204.08987 Da
Monoisotopic Mass: 2.1
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]+	205.09715	142.1
[M+Na]+	227.07909	156.1
[M+NH4]+	222.12369	152.4
[M+K]+	243.05303	152.0
[M-H]-	203.08259	145.4
[M+Na-2H]-	225.06454	149.2
[M]+	204.08932	145.1
[M]-	204.09042	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe