CID 1137

4-methyl-5-hydroxyethylthiazole phosphate

Structural Information

Molecular Formula
C6H10NO4PS
SMILES
CC1=C(SC=N1)CCOP(=O)(O)O
InChI
InChI=1S/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKey
OCYMERZCMYJQQO-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

123
Patents

223.00682 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01410 144.3
[M+Na]+ 245.99604 152.4
[M-H]- 221.99954 143.3
[M+NH4]+ 241.04064 162.8
[M+K]+ 261.96998 150.7
[M+H-H2O]+ 206.00408 136.6
[M+HCOO]- 268.00502 166.0
[M+CH3COO]- 282.02067 179.4
[M+Na-2H]- 243.98149 144.4
[M]+ 223.00627 148.6
[M]- 223.00737 148.6
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