CID 19985433

Serine phosphonate

Structural Information

Molecular Formula
C3H8NO6P
SMILES
C(C(C(=O)OP(=O)(O)O)N)O
InChI
InChI=1S/C3H8NO6P/c4-2(1-5)3(6)10-11(7,8)9/h2,5H,1,4H2,(H2,7,8,9)
InChIKey
HEJHDENWXHUVBO-UHFFFAOYSA-N
Compound name
phosphono 2-amino-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

185.00893 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.016206 136.2
[M+Na]+ 207.998148 142.1
[M-H]- 184.001654 131.0
[M+NH4]+ 203.042753 153.4
[M+K]+ 223.972088 142.5
[M+H-H2O]+ 168.006190 129.6
[M+HCOO]- 230.007131 160.0
[M+CH3COO]- 244.022781 174.0
[M+Na-2H]- 205.983596 137.5
[M]+ 185.00838142 135.5
[M]- 185.00947858 135.5
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