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
2
Annotation Hits

274
References

4283
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 148.1
[M+Na]+ 246.05018 153.7
[M+NH4]+ 241.09478 151.7
[M+K]+ 262.02412 153.0
[M-H]- 222.05368 143.6
[M+Na-2H]- 244.03563 147.5
[M]+ 223.06041 146.8
[M]- 223.06151 146.8
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