CID 7076549

Cyclo(-gly-phe)

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2

InChI

InChI=1S/C11H12N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,15)(H,13,14)/t9-/m0/s1

InChIKey

UZOJHXFWJFSFAI-VIFPVBQESA-N

Compound name

(3S)-3-benzylpiperazine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 113
Patents: 204.08987 Da
Monoisotopic Mass: 0.3
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]+	205.097146	145.5
[M+Na]+	227.079088	151.9
[M-H]-	203.082594	146.3
[M+NH4]+	222.123693	160.0
[M+K]+	243.053028	147.0
[M+H-H2O]+	187.087130	137.5
[M+HCOO]-	249.088071	161.7
[M+CH3COO]-	263.103721	179.1
[M+Na-2H]-	225.064536	149.8
[M]+	204.08932142	138.8
[M]-	204.09041858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe