CID 132343725

2137958-17-7

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CC(C)C1CC(=O)CN1CC2=CC=CC=C2

InChI

InChI=1S/C14H19NO/c1-11(2)14-8-13(16)10-15(14)9-12-6-4-3-5-7-12/h3-7,11,14H,8-10H2,1-2H3

InChIKey

WYLPOMVDDGPWIQ-UHFFFAOYSA-N

Compound name

1-benzyl-5-propan-2-ylpyrrolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 217.14667 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]+	218.153946	151.1
[M+Na]+	240.135888	157.4
[M-H]-	216.139394	156.1
[M+NH4]+	235.180493	170.1
[M+K]+	256.109828	154.5
[M+H-H2O]+	200.143930	143.8
[M+HCOO]-	262.144871	171.5
[M+CH3COO]-	276.160521	189.5
[M+Na-2H]-	238.121336	152.0
[M]+	217.14612142	149.5
[M]-	217.14721858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe