CID 137332182

Ahdp

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CC1(C(NC(=O)C1N)CC2=CC=C(C=C2)O)C

InChI

InChI=1S/C13H18N2O2/c1-13(2)10(15-12(17)11(13)14)7-8-3-5-9(16)6-4-8/h3-6,10-11,16H,7,14H2,1-2H3,(H,15,17)

InChIKey

MCRWIHVHOLDIFL-UHFFFAOYSA-N

Compound name

3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 234.13683 Da
Monoisotopic Mass: 1.3
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]+	235.14411	153.2
[M+Na]+	257.12605	161.3
[M-H]-	233.12955	156.1
[M+NH4]+	252.17065	172.1
[M+K]+	273.09999	156.6
[M+H-H2O]+	217.13409	147.4
[M+HCOO]-	279.13503	172.5
[M+CH3COO]-	293.15068	189.1
[M+Na-2H]-	255.11150	154.4
[M]+	234.13628	149.1
[M]-	234.13738	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe