CID 132989547

Th-pbp

Structural Information

Molecular Formula

C₁₈H₂₅NO

SMILES

CCC(C(=O)C1=CC2=C(CCCC2)C=C1)N3CCCC3

InChI

InChI=1S/C18H25NO/c1-2-17(19-11-5-6-12-19)18(20)16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3

InChIKey

DNKYSKGKPOHTKY-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 271.1936 Da
Monoisotopic Mass: 4.5
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]+	272.200876	168.0
[M+Na]+	294.182818	170.6
[M-H]-	270.186324	172.3
[M+NH4]+	289.227423	184.9
[M+K]+	310.156758	166.6
[M+H-H2O]+	254.190860	159.7
[M+HCOO]-	316.191801	182.8
[M+CH3COO]-	330.207451	199.5
[M+Na-2H]-	292.168266	166.9
[M]+	271.19305142	162.5
[M]-	271.19414858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.