CID 129925731

2-methyl-3-(3-methyl-5-isothiazolyl)-2-propenoic acid

Structural Information

Molecular Formula
C8H9NO2S
SMILES
CC1=NSC(=C1)C=C(C)C(=O)O
InChI
InChI=1S/C8H9NO2S/c1-5(8(10)11)3-7-4-6(2)9-12-7/h3-4H,1-2H3,(H,10,11)
InChIKey
OAGIVDIRFHHVHM-UHFFFAOYSA-N
Compound name
2-methyl-3-(3-methyl-1,2-thiazol-5-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 140.5
[M+Na]+ 206.02462 150.0
[M+NH4]+ 201.06922 147.7
[M+K]+ 221.99856 145.5
[M-H]- 182.02812 139.9
[M+Na-2H]- 204.01007 143.3
[M]+ 183.03485 141.8
[M]- 183.03595 141.8
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.