CID 65773

Tizoprolic acid

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CCCC1=NC=C(S1)C(=O)O
InChI
InChI=1S/C7H9NO2S/c1-2-3-6-8-4-5(11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey
IOSZDNOGOPHEPH-UHFFFAOYSA-N
Compound name
2-propyl-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

78
Patents

171.0354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.042676 134.6
[M+Na]+ 194.024618 143.5
[M-H]- 170.028124 136.2
[M+NH4]+ 189.069223 155.5
[M+K]+ 209.998558 141.4
[M+H-H2O]+ 154.032660 129.1
[M+HCOO]- 216.033601 152.1
[M+CH3COO]- 230.049251 174.3
[M+Na-2H]- 192.010066 135.6
[M]+ 171.03485142 137.3
[M]- 171.03594858 137.3
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