CID 6483878

2,7-dimethyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CC1=C2C(=CC=C1)C(=C(N2)C)C=O

InChI

InChI=1S/C11H11NO/c1-7-4-3-5-9-10(6-13)8(2)12-11(7)9/h3-6,12H,1-2H3

InChIKey

FMPNQDYTTYPNOK-UHFFFAOYSA-N

Compound name

2,7-dimethyl-1H-indole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 173.08406 Da
Monoisotopic Mass: 2.3
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]+	174.09134	134.4
[M+Na]+	196.07328	146.1
[M-H]-	172.07678	137.6
[M+NH4]+	191.11788	156.5
[M+K]+	212.04722	141.8
[M+H-H2O]+	156.08132	129.0
[M+HCOO]-	218.08226	158.1
[M+CH3COO]-	232.09791	179.1
[M+Na-2H]-	194.05873	140.7
[M]+	173.08351	136.6
[M]-	173.08461	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe