CID 12752570

3-hydroxypiperidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO3
SMILES
C1CC(CNC1)(C(=O)O)O
InChI
InChI=1S/C6H11NO3/c8-5(9)6(10)2-1-3-7-4-6/h7,10H,1-4H2,(H,8,9)
InChIKey
PEGNTNPGJKQIGM-UHFFFAOYSA-N
Compound name
3-hydroxypiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

145.0739 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 131.1
[M+Na]+ 168.063118 136.3
[M-H]- 144.066624 128.7
[M+NH4]+ 163.107723 150.5
[M+K]+ 184.037058 134.6
[M+H-H2O]+ 128.071160 126.4
[M+HCOO]- 190.072101 146.3
[M+CH3COO]- 204.087751 163.9
[M+Na-2H]- 166.048566 136.3
[M]+ 145.07335142 123.8
[M]- 145.07444858 123.8
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