CID 4461489

4679-87-2

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC(C)C1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C11H13NO/c1-7(2)10-8-5-3-4-6-9(8)12-11(10)13/h3-7,10H,1-2H3,(H,12,13)

InChIKey

YGNHYIZZFQBGHY-UHFFFAOYSA-N

Compound name

3-propan-2-yl-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 175.09972 Da
Monoisotopic Mass: 2.1
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]+	176.10700	138.1
[M+Na]+	198.08894	146.5
[M-H]-	174.09244	140.2
[M+NH4]+	193.13354	159.5
[M+K]+	214.06288	143.1
[M+H-H2O]+	158.09698	132.5
[M+HCOO]-	220.09792	157.9
[M+CH3COO]-	234.11357	179.3
[M+Na-2H]-	196.07439	141.8
[M]+	175.09917	136.4
[M]-	175.10027	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe