CID 449094

Cyclo(his-pro)

Structural Information

Molecular Formula
C11H14N4O2
SMILES
C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CN=CN3
InChI
InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1
InChIKey
NAKUGCPAQTUSBE-IUCAKERBSA-N
Compound name
(3S,8aS)-3-(1H-imidazol-5-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

193
References

268
Patents

234.11168 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11896 154.8
[M+Na]+ 257.10090 162.1
[M-H]- 233.10440 154.4
[M+NH4]+ 252.14550 170.1
[M+K]+ 273.07484 157.4
[M+H-H2O]+ 217.10894 146.3
[M+HCOO]- 279.10988 168.2
[M+CH3COO]- 293.12553 164.6
[M+Na-2H]- 255.08635 154.3
[M]+ 234.11113 148.7
[M]- 234.11223 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.