CID 122173832

Prolyldiketopiperazine b

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)CC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1
InChI
InChI=1S/C12H20N2O2/c1-8(2)5-6-9-12(16)14-7-3-4-10(14)11(15)13-9/h8-10H,3-7H2,1-2H3,(H,13,15)/t9-,10+/m0/s1
InChIKey
IGZIEGLOLSUNTO-VHSXEESVSA-N
Compound name
(3S,8aR)-3-(3-methylbutyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 154.5
[M+Na]+ 247.141698 160.4
[M-H]- 223.145204 154.0
[M+NH4]+ 242.186303 172.3
[M+K]+ 263.115638 157.1
[M+H-H2O]+ 207.149740 147.8
[M+HCOO]- 269.150681 168.4
[M+CH3COO]- 283.166331 188.8
[M+Na-2H]- 245.127146 153.8
[M]+ 224.15193142 150.3
[M]- 224.15302858 150.3
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.