CID 68841

O-phospho-l-serine

Structural Information

Molecular Formula
C3H8NO6P
SMILES
C([C@@H](C(=O)O)N)OP(=O)(O)O
InChI
InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey
BZQFBWGGLXLEPQ-REOHCLBHSA-N
Compound name
(2S)-2-amino-3-phosphonooxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

4541
References

75672
Patents

185.00893 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.016206 136.0
[M+Na]+ 207.998148 141.7
[M-H]- 184.001654 130.7
[M+NH4]+ 203.042753 153.1
[M+K]+ 223.972088 142.2
[M+H-H2O]+ 168.006190 129.3
[M+HCOO]- 230.007131 159.8
[M+CH3COO]- 244.022781 174.6
[M+Na-2H]- 205.983596 137.2
[M]+ 185.00838142 135.4
[M]- 185.00947858 135.4
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