CID 10847280

191846-76-1

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄

SMILES

CN1C=C(C2=C1C=CC(=C2[N+](=O)[O-])OC)C=O

InChI

InChI=1S/C11H10N2O4/c1-12-5-7(6-14)10-8(12)3-4-9(17-2)11(10)13(15)16/h3-6H,1-2H3

InChIKey

YDMDOIHSAYQATQ-UHFFFAOYSA-N

Compound name

5-methoxy-1-methyl-4-nitroindole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 234.06406 Da
Monoisotopic Mass: 1.3
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]+	235.07134	147.0
[M+Na]+	257.05328	157.9
[M-H]-	233.05678	151.8
[M+NH4]+	252.09788	166.2
[M+K]+	273.02722	151.4
[M+H-H2O]+	217.06132	145.4
[M+HCOO]-	279.06226	173.2
[M+CH3COO]-	293.07791	186.2
[M+Na-2H]-	255.03873	154.7
[M]+	234.06351	151.3
[M]-	234.06461	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe