CID 18631

3265-24-5

Structural Information

Molecular Formula

C₉H₈N₂O₂

SMILES

CN1C2=CC=CC=C2C(=C1O)N=O

InChI

InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-13)9(11)12/h2-5,12H,1H3

InChIKey

XTTZPTULXPKGIO-UHFFFAOYSA-N

Compound name

1-methyl-3-nitrosoindol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 30
Patents: 176.05858 Da
Monoisotopic Mass: 1.9
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]+	177.06586	133.1
[M+Na]+	199.04780	146.7
[M+NH4]+	194.09240	141.7
[M+K]+	215.02174	142.4
[M-H]-	175.05130	135.3
[M+Na-2H]-	197.03325	139.9
[M]+	176.05803	135.6
[M]-	176.05913	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe