CID 39981

Sparfosic acid

Structural Information

Molecular Formula
C6H10NO8P
SMILES
C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1
InChIKey
ZZKNRXZVGOYGJT-VKHMYHEASA-N
Compound name
(2S)-2-[(2-phosphonoacetyl)amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

481
References

14219
Patents

255.0144 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02168 150.1
[M+Na]+ 278.00362 154.0
[M-H]- 254.00712 143.6
[M+NH4]+ 273.04822 163.5
[M+K]+ 293.97756 154.6
[M+H-H2O]+ 238.01166 143.0
[M+HCOO]- 300.01260 170.9
[M+CH3COO]- 314.02825 186.2
[M+Na-2H]- 275.98907 148.8
[M]+ 255.01385 149.8
[M]- 255.01495 149.8
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