CID 6992199

Cyclo(d)-pro-(d)-phe

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1C[C@@H]2C(=O)N[C@@H](C(=O)N2C1)CC3=CC=CC=C3
InChI
InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m1/s1
InChIKey
QZBUWPVZSXDWSB-VXGBXAGGSA-N
Compound name
(3R,8aR)-3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

244.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 156.3
[M+Na]+ 267.11041 162.9
[M-H]- 243.11391 159.2
[M+NH4]+ 262.15501 172.8
[M+K]+ 283.08435 157.9
[M+H-H2O]+ 227.11845 148.1
[M+HCOO]- 289.11939 172.1
[M+CH3COO]- 303.13504 166.8
[M+Na-2H]- 265.09586 157.9
[M]+ 244.12064 150.9
[M]- 244.12174 150.9
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