CID 2898262

Smr000106340

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CC1CC2=CC=CC=C2N1C(=O)C34CCC(C3(C)C)(C(=O)C4)C

InChI

InChI=1S/C20H25NO2/c1-13-11-14-7-5-6-8-15(14)21(13)17(23)20-10-9-19(4,16(22)12-20)18(20,2)3/h5-8,13H,9-12H2,1-4H3

InChIKey

UCCZEJKEPKONPP-UHFFFAOYSA-N

Compound name

1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 311.18854 Da
Monoisotopic Mass: 3.1
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]+	312.195816	176.0
[M+Na]+	334.177758	185.8
[M-H]-	310.181264	182.6
[M+NH4]+	329.222363	203.4
[M+K]+	350.151698	180.4
[M+H-H2O]+	294.185800	171.5
[M+HCOO]-	356.186741	192.7
[M+CH3COO]-	370.202391	188.0
[M+Na-2H]-	332.163206	175.2
[M]+	311.18799142	177.3
[M]-	311.18908858	177.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.