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
3
Annotation Hits

126
References

1129
Patents

250.07185 Da
Monoisotopic Mass

-7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.079126 157.8
[M+Na]+ 273.061068 161.6
[M-H]- 249.064574 151.2
[M+NH4]+ 268.105673 169.4
[M+K]+ 289.035008 158.8
[M+H-H2O]+ 233.069110 149.3
[M+HCOO]- 295.070051 173.7
[M+CH3COO]- 309.085701 181.7
[M+Na-2H]- 271.046516 157.0
[M]+ 250.07130142 152.0
[M]- 250.07239858 152.0
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