CID 46942369

Cthz-p

Structural Information

Molecular Formula

C₇H₁₀NO₆PS

SMILES

CC1=C(SC(=N1)C(=O)O)CCOP(=O)(O)O

InChI

InChI=1S/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2-3H2,1H3,(H,9,10)(H2,11,12,13)

InChIKey

XWECMAHAKFWYNV-UHFFFAOYSA-N

Compound name

4-methyl-5-(2-phosphonooxyethyl)-1,3-thiazole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1
Patents: 266.99664 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.00392	155.4
[M+Na]+	289.98586	161.4
[M+NH4]+	285.03046	158.9
[M+K]+	305.95980	160.9
[M-H]-	265.98936	150.8
[M+Na-2H]-	287.97131	154.8
[M]+	266.99609	154.7
[M]-	266.99719	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe