CID 6435801

Midafotel

Structural Information

Molecular Formula
C8H15N2O5P
SMILES
C1CN(C[C@@H](N1)C(=O)O)C/C=C/P(=O)(O)O
InChI
InChI=1S/C8H15N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h1,5,7,9H,2-4,6H2,(H,11,12)(H2,13,14,15)/b5-1+/t7-/m1/s1
InChIKey
VZXMZMJSGLFKQI-ABVWVHJUSA-N
Compound name
(2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

126
References

1252
Patents

250.07185 Da
Monoisotopic Mass

-7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07913 155.7
[M+Na]+ 273.06107 160.9
[M+NH4]+ 268.10567 158.1
[M+K]+ 289.03501 160.2
[M-H]- 249.06457 150.1
[M+Na-2H]- 271.04652 154.3
[M]+ 250.07130 153.9
[M]- 250.07240 153.9
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