CID 115380

Piperidino hexose reductone

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC1(CC(=C(C1=O)O)NN2CCCCC2)O
InChI
InChI=1S/C11H18N2O3/c1-11(16)7-8(9(14)10(11)15)12-13-5-3-2-4-6-13/h12,14,16H,2-7H2,1H3
InChIKey
ZKEGGSPWBGCPNF-UHFFFAOYSA-N
Compound name
2,5-dihydroxy-5-methyl-3-(piperidin-1-ylamino)cyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1370
Patents

226.13174 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 151.2
[M+Na]+ 249.12096 159.1
[M+NH4]+ 244.16556 159.1
[M+K]+ 265.09490 155.0
[M-H]- 225.12446 152.3
[M+Na-2H]- 247.10641 155.6
[M]+ 226.13119 152.2
[M]- 226.13229 152.2
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

patents stripe