CID 132989234

5-ppdi

Structural Information

Molecular Formula

C₁₇H₂₃NO

SMILES

CCC(C(=O)C1=CC2=C(CCC2)C=C1)N3CCCC3

InChI

InChI=1S/C17H23NO/c1-2-16(18-10-3-4-11-18)17(19)15-9-8-13-6-5-7-14(13)12-15/h8-9,12,16H,2-7,10-11H2,1H3

InChIKey

HLBROWUOAAQHCM-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 257.17798 Da
Monoisotopic Mass: 3.9
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]+	258.18526	165.4
[M+Na]+	280.16720	169.2
[M-H]-	256.17070	170.5
[M+NH4]+	275.21180	184.8
[M+K]+	296.14114	165.8
[M+H-H2O]+	240.17524	157.9
[M+HCOO]-	302.17618	182.8
[M+CH3COO]-	316.19183	196.4
[M+Na-2H]-	278.15265	163.1
[M]+	257.17743	161.8
[M]-	257.17853	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe