CID 53477655

Cthz*-p

Structural Information

Molecular Formula
C7H10NO6PS
SMILES
CC\1=N[C@H](S/C1=C\COP(=O)(O)O)C(=O)O
InChI
InChI=1S/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2,6H,3H2,1H3,(H,9,10)(H2,11,12,13)/b5-2-/t6-/m1/s1
InChIKey
PQMCQNOVNFNPFJ-HYIMLASBSA-N
Compound name
(2R,5Z)-4-methyl-5-(2-phosphonooxyethylidene)-2H-1,3-thiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

266.99664 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00392 153.0
[M+Na]+ 289.98586 159.8
[M-H]- 265.98936 150.4
[M+NH4]+ 285.03046 168.7
[M+K]+ 305.95980 157.7
[M+H-H2O]+ 249.99390 145.7
[M+HCOO]- 311.99484 171.1
[M+CH3COO]- 326.01049 184.4
[M+Na-2H]- 287.97131 150.7
[M]+ 266.99609 155.5
[M]- 266.99719 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.