CID 133628831

(2e)-3-(3-methyl-1,2-thiazol-4-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C7H7NO2S
SMILES
CC1=NSC=C1/C=C/C(=O)O
InChI
InChI=1S/C7H7NO2S/c1-5-6(4-11-8-5)2-3-7(9)10/h2-4H,1H3,(H,9,10)/b3-2+
InChIKey
RDMPGWWXVMHQFE-NSCUHMNNSA-N
Compound name
(E)-3-(3-methyl-1,2-thiazol-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01974 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 136.2
[M+Na]+ 192.00896 146.3
[M+NH4]+ 187.05356 143.7
[M+K]+ 207.98290 141.1
[M-H]- 168.01246 135.8
[M+Na-2H]- 189.99441 139.6
[M]+ 169.01919 137.7
[M]- 169.02029 137.7
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.