CID 132989549

Th-pvp

Structural Information

Molecular Formula

C₁₉H₂₇NO

SMILES

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

InChI

InChI=1S/C19H27NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3

InChIKey

MMIKQWIZKBYLKZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 285.20926 Da
Monoisotopic Mass: 4.8
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]+	286.21654	172.6
[M+Na]+	308.19848	174.7
[M-H]-	284.20198	176.7
[M+NH4]+	303.24308	188.9
[M+K]+	324.17242	170.5
[M+H-H2O]+	268.20652	164.1
[M+HCOO]-	330.20746	187.1
[M+CH3COO]-	344.22311	202.5
[M+Na-2H]-	306.18393	171.0
[M]+	285.20871	167.4
[M]-	285.20981	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe