CID 19848425

Tromethamine phosphate

Structural Information

Molecular Formula
C4H12NO6P
SMILES
C(C(CO)(COP(=O)(O)O)N)O
InChI
InChI=1S/C4H12NO6P/c5-4(1-6,2-7)3-11-12(8,9)10/h6-7H,1-3,5H2,(H2,8,9,10)
InChIKey
BRRRIZHWQMAVLQ-UHFFFAOYSA-N
Compound name
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

68
Patents

201.04022 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04750 143.4
[M+Na]+ 224.02944 148.7
[M-H]- 200.03294 136.6
[M+NH4]+ 219.07404 159.4
[M+K]+ 240.00338 148.1
[M+H-H2O]+ 184.03748 137.1
[M+HCOO]- 246.03842 165.4
[M+CH3COO]- 260.05407 175.1
[M+Na-2H]- 222.01489 147.2
[M]+ 201.03967 142.6
[M]- 201.04077 142.6
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