CID 139895

(3xi,6xi)-cyclo(alanylvalyl)

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CC1C(=O)NC(C(=O)N1)C(C)C
InChI
InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)
InChIKey
ORLDMMKUTCCBSM-UHFFFAOYSA-N
Compound name
3-methyl-6-propan-2-ylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

170.10553 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 139.0
[M+Na]+ 193.09475 148.8
[M+NH4]+ 188.13935 145.0
[M+K]+ 209.06869 144.8
[M-H]- 169.09825 137.5
[M+Na-2H]- 191.08020 140.9
[M]+ 170.10498 139.5
[M]- 170.10608 139.5
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