CID 12415229

67242-60-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)N

InChI

InChI=1S/C10H10N2O/c1-6-9(10(11)13)7-4-2-3-5-8(7)12-6/h2-5,12H,1H3,(H2,11,13)

InChIKey

QKWLFJZXUBMFLU-UHFFFAOYSA-N

Compound name

2-methyl-1H-indole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 174.07932 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]+	175.086596	135.0
[M+Na]+	197.068538	145.0
[M-H]-	173.072044	137.5
[M+NH4]+	192.113143	156.0
[M+K]+	213.042478	141.0
[M+H-H2O]+	157.076580	129.1
[M+HCOO]-	219.077521	158.4
[M+CH3COO]-	233.093171	180.0
[M+Na-2H]-	195.053986	140.7
[M]+	174.07877142	134.1
[M]-	174.07986858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe