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 150.0
[M+Na]+ 249.12096 155.8
[M-H]- 225.12446 152.6
[M+NH4]+ 244.16556 168.9
[M+K]+ 265.09490 153.0
[M+H-H2O]+ 209.12900 144.1
[M+HCOO]- 271.12994 167.9
[M+CH3COO]- 285.14559 185.4
[M+Na-2H]- 247.10641 152.1
[M]+ 226.13119 144.3
[M]- 226.13229 144.3
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

patents stripe