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: 33
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]+	177.065856	131.5
[M+Na]+	199.047798	143.5
[M-H]-	175.051304	136.3
[M+NH4]+	194.092403	153.8
[M+K]+	215.021738	141.0
[M+H-H2O]+	159.055840	125.6
[M+HCOO]-	221.056781	158.6
[M+CH3COO]-	235.072431	182.6
[M+Na-2H]-	197.033246	139.8
[M]+	176.05803142	135.6
[M]-	176.05912858	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe