CID 801695

1-isopropyl-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CC(C)N1C=C(C2=CC=CC=C21)C=O

InChI

InChI=1S/C12H13NO/c1-9(2)13-7-10(8-14)11-5-3-4-6-12(11)13/h3-9H,1-2H3

InChIKey

AEECOZTYVNXNDQ-UHFFFAOYSA-N

Compound name

1-propan-2-ylindole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 187.09972 Da
Monoisotopic Mass: 2.2
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]+	188.10700	139.6
[M+Na]+	210.08894	153.6
[M+NH4]+	205.13354	148.7
[M+K]+	226.06288	148.3
[M-H]-	186.09244	141.7
[M+Na-2H]-	208.07439	146.3
[M]+	187.09917	142.2
[M]-	187.10027	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe