CID 6852046

52454-65-6

Structural Information

Molecular Formula
C6H7NO2S
SMILES
CC1=NC=C(S1)CC(=O)O
InChI
InChI=1S/C6H7NO2S/c1-4-7-3-5(10-4)2-6(8)9/h3H,2H2,1H3,(H,8,9)
InChIKey
DVFWNODYANYNMC-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-thiazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

127
Patents

157.01974 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 131.9
[M+Na]+ 180.00896 142.1
[M+NH4]+ 175.05356 139.8
[M+K]+ 195.98290 137.3
[M-H]- 156.01246 131.8
[M+Na-2H]- 177.99441 135.6
[M]+ 157.01919 133.5
[M]- 157.02029 133.5
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