CID 214799

34272-65-6

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CC1=C(SC(=N1)C)CC(=O)O
InChI
InChI=1S/C7H9NO2S/c1-4-6(3-7(9)10)11-5(2)8-4/h3H2,1-2H3,(H,9,10)
InChIKey
VVEIGFCSKPLKGZ-UHFFFAOYSA-N
Compound name
2-(2,4-dimethyl-1,3-thiazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

87
Patents

171.0354 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04268 133.8
[M+Na]+ 194.02462 143.7
[M-H]- 170.02812 135.9
[M+NH4]+ 189.06922 155.1
[M+K]+ 209.99856 141.5
[M+H-H2O]+ 154.03266 128.7
[M+HCOO]- 216.03360 151.3
[M+CH3COO]- 230.04925 175.5
[M+Na-2H]- 192.01007 134.3
[M]+ 171.03485 137.0
[M]- 171.03595 137.0
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

patents stripe