CID 6732

Pindone

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

CC(C)(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H14O3/c1-14(2,3)13(17)10-11(15)8-6-4-5-7-9(8)12(10)16/h4-7,10H,1-3H3

InChIKey

RZKYEQDPDZUERB-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylpropanoyl)indene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 12
References: 7004
Patents: 230.0943 Da
Monoisotopic Mass: 2.7
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]+	231.101576	149.4
[M+Na]+	253.083518	158.8
[M-H]-	229.087024	154.7
[M+NH4]+	248.128123	170.9
[M+K]+	269.057458	156.0
[M+H-H2O]+	213.091560	145.1
[M+HCOO]-	275.092501	170.2
[M+CH3COO]-	289.108151	191.6
[M+Na-2H]-	251.068966	152.8
[M]+	230.09375142	151.5
[M]-	230.09484858	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe