CID 6789

84-83-3

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

CC1(C2=CC=CC=C2N(C1=CC=O)C)C

InChI

InChI=1S/C13H15NO/c1-13(2)10-6-4-5-7-11(10)14(3)12(13)8-9-15/h4-9H,1-3H3

InChIKey

GCECACVNILMTRD-UHFFFAOYSA-N

Compound name

2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 482
Patents: 201.11537 Da
Monoisotopic Mass: 2.5
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]+	202.12265	143.6
[M+Na]+	224.10459	154.2
[M-H]-	200.10809	147.5
[M+NH4]+	219.14919	167.2
[M+K]+	240.07853	150.2
[M+H-H2O]+	184.11263	138.2
[M+HCOO]-	246.11357	165.5
[M+CH3COO]-	260.12922	186.3
[M+Na-2H]-	222.09004	148.5
[M]+	201.11482	145.0
[M]-	201.11592	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe