CID 21645698

3-hydroxypiperidine-2,6-dione

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1CC(=O)NC(=O)C1O
InChI
InChI=1S/C5H7NO3/c7-3-1-2-4(8)6-5(3)9/h3,7H,1-2H2,(H,6,8,9)
InChIKey
CCFXSFYJADFJBM-UHFFFAOYSA-N
Compound name
3-hydroxypiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

129.04259 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 123.2
[M+Na]+ 152.03181 130.7
[M-H]- 128.03531 122.8
[M+NH4]+ 147.07641 142.6
[M+K]+ 168.00575 128.9
[M+H-H2O]+ 112.03985 118.1
[M+HCOO]- 174.04079 141.4
[M+CH3COO]- 188.05644 164.4
[M+Na-2H]- 150.01726 128.2
[M]+ 129.04204 117.8
[M]- 129.04314 117.8
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