CID 276067

Nsc123302

Structural Information

Molecular Formula
C13H21NO4
SMILES
C1CCC(C(C1)C(CC2CC(=O)NC(=O)C2)O)O
InChI
InChI=1S/C13H21NO4/c15-10-4-2-1-3-9(10)11(16)5-8-6-12(17)14-13(18)7-8/h8-11,15-16H,1-7H2,(H,14,17,18)
InChIKey
ZNHZJIRFHQDYLH-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-2-(2-hydroxycyclohexyl)ethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 160.5
[M+Na]+ 278.13628 162.8
[M-H]- 254.13978 160.2
[M+NH4]+ 273.18088 173.4
[M+K]+ 294.11022 159.3
[M+H-H2O]+ 238.14432 153.5
[M+HCOO]- 300.14526 170.7
[M+CH3COO]- 314.16091 187.9
[M+Na-2H]- 276.12173 158.5
[M]+ 255.14651 150.6
[M]- 255.14761 150.6
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.