CID 259835

2,7-dimethyl-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₁N

SMILES

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

InChI

InChI=1S/C10H11N/c1-7-4-3-5-9-6-8(2)11-10(7)9/h3-6,11H,1-2H3

InChIKey

QYAVCKAPGJSSRS-UHFFFAOYSA-N

Compound name

2,7-dimethyl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 197
Patents: 145.08914 Da
Monoisotopic Mass: 2.8
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]+	146.096416	127.7
[M+Na]+	168.078358	138.8
[M-H]-	144.081864	130.6
[M+NH4]+	163.122963	150.9
[M+K]+	184.052298	134.8
[M+H-H2O]+	128.086400	122.4
[M+HCOO]-	190.087341	151.4
[M+CH3COO]-	204.102991	142.7
[M+Na-2H]-	166.063806	135.3
[M]+	145.08859142	128.5
[M]-	145.08968858	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe