CID 68736

Selfotel

Structural Information

Molecular Formula
C7H14NO5P
SMILES
C1CN[C@@H](C[C@@H]1CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C7H14NO5P/c9-7(10)6-3-5(1-2-8-6)4-14(11,12)13/h5-6,8H,1-4H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
InChIKey
LPMRCCNDNGONCD-RITPCOANSA-N
Compound name
(2S,4R)-4-(phosphonomethyl)piperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

274
References

4310
Patents

223.06096 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06824 150.0
[M+Na]+ 246.05018 153.9
[M-H]- 222.05368 144.8
[M+NH4]+ 241.09478 164.1
[M+K]+ 262.02412 151.9
[M+H-H2O]+ 206.05822 142.4
[M+HCOO]- 268.05916 167.3
[M+CH3COO]- 282.07481 177.3
[M+Na-2H]- 244.03563 149.7
[M]+ 223.06041 144.1
[M]- 223.06151 144.1
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.