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

157
Patents

204.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 145.5
[M+Na]+ 227.07909 151.9
[M-H]- 203.08259 146.3
[M+NH4]+ 222.12369 160.0
[M+K]+ 243.05303 147.0
[M+H-H2O]+ 187.08713 137.5
[M+HCOO]- 249.08807 161.7
[M+CH3COO]- 263.10372 179.1
[M+Na-2H]- 225.06454 149.8
[M]+ 204.08932 138.8
[M]- 204.09042 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe